compiling vasp.5.2 on BlueGene/P

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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nkwem
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compiling vasp.5.2 on BlueGene/P

#1 Post by nkwem » Mon Jul 05, 2010 8:51 am

Hi all,

I get the following error when compilling vasp5.2 on BlueGene/P:
1501-510 Compilation successful for file main.f.
scala.o: In function reconslice:CHPChomenmonamaTomvasp.5.2scala.f:1141:undefedreferenceblacs_gridinfo'
scala.o: In function distrislice:CHPChomenmonamaTomvasp.5.2scala.f:1097:undefedreferenceblacs_gridinfo'
scala.o: In function itscala:CHPChomenmonamaTomvasp.5.2scala.f:632:undefedreferenceblacs_gridinfo'
scala.o: In function bgchandiagona:CHPChomenmonamaTomvasp.5.2scala.f:953:undefedreferenceblacs_gridinfo'
scala.o: In function bgitscala:CHPChomenmonamaTomvasp.5.2scala.f:879:undefedreferenceblacs_gridinfo'
scala.o: In function procmap:CHPChomenmonamaTomvasp.5.2scala.f:763:undefedreferenceblacs_get'
/CHPC/home/nmonama/Tom/vasp.5.2/scala.f:765: undefined reference to blacsgriditCHPChomenmonamaTomvasp.5.2scala.f:770:undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/Tom/vasp.5.2/scala.f:771: undefined reference to blacspνmCHPChomenmonamaTomvasp.5.2scala.f:803:undefedreferenceblacs_gridexit'
/CHPC/home/nmonama/Tom/vasp.5.2/scala.f:808: undefined reference to blacstCHPChomenmonamaTomvasp.5.2scala.f:809:undefedreferenceblacs_gridmap'
/CHPC/home/nmonama/Tom/vasp.5.2/scala.f:753: undefined reference to blacsgrideξtscala.o:Infunctionrecon_single':
/CHPC/home/nmonama/Tom/vasp.5.2/scala.f:540: undefined reference to blacsgridfoscala.o:Infunctionrecon':
/CHPC/home/nmonama/Tom/vasp.5.2/scala.f:503: undefined reference to blacsgridfoscala.o:Infunctiondistri_single':
/CHPC/home/nmonama/Tom/vasp.5.2/scala.f:462: undefined reference to blacsgridfoscala.o:Infunctiondistri':
/CHPC/home/nmonama/Tom/vasp.5.2/scala.f:420: undefined reference to blacsgridfoscala.o:Infunctionppotrf_trtri':
/CHPC/home/nmonama/Tom/vasp.5.2/scala.f:155: undefined reference to blacsgridfobse.o:CHPChomenmonamaTomvasp.5.2bse.f:1014:moreundefedreferencesblacs_gridinfo' follow
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzheevx.o): In function pzheevx:pzheevx.f:(.0x374):undefedreferencedgebs2d'
pzheevx.f:(.text+0x3e0): undefined reference to dbr2dpzheevx.f:(.0x1104):undefedreferenceigamn2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzhentrd.o): In function pzhentrd:pzhentrd.f:(.0xe0):undefedreferenceblacs_gridinfo'
pzhentrd.f:(.text+0x314): undefined reference to igamn2dpzhentrd.f:(.0x39c):undefedreferenceigamn2d'
pzhentrd.f:(.text+0x448): undefined reference to blacstpzhentrd.f:(.0x47c):undefedreferenceblacs_gridinit'
pzhentrd.f:(.text+0x494): undefined reference to blacsgridfopzhentrd.f:(.0x540):undefedreferencepztrmr2d'
pzhentrd.f:(.text+0x700): undefined reference to pztrmr2dpzhentrd.f:(.0x7e0):undefedreferenceblacs_gridexit'
pzhentrd.f:(.text+0x890): undefined reference to pbtpzhentrd.f:(.0x8e0):undefedreferencepb_topget'
pzhentrd.f:(.text+0x924): undefined reference to pbsetpzhentrd.f:(.0x964):undefedreferencepb_topset'
pzhentrd.f:(.text+0xbbc): undefined reference to pzher2kpzhentrd.f:(.0xdb8):undefedreferencepb_topset'
pzhentrd.f:(.text+0xdfc): undefined reference to pbsetpzhentrd.f:(.0xff8):undefedreferencepzher2k'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzhettrd.o): In function pzherd:pzherd.f:(.0x10c):undefedreferenceblacs_gridinfo'
pzhettrd.f:(.text+0x10d4): undefined reference to dg2dpzherd.f:(.0x14a4):undefedreferencezgebs2d'
pzhettrd.f:(.text+0x1504): undefined reference to zbr2dpzherd.f:(.0x1750):undefedreferencezgesd2d'
pzhettrd.f:(.text+0x17a0): undefined reference to zrv2dpzherd.f:(.0x2064):undefedreferencezgsum2d'
pzhettrd.f:(.text+0x2204): undefined reference to zg2dpzherd.f:(.0x2408):undefedreferencezgesd2d'
pzhettrd.f:(.text+0x2430): undefined reference to zrv2dpzherd.f:(.0x24fc):undefedreferencezgsum2d'
pzhettrd.f:(.text+0x26e0): undefined reference to zg2dpzherd.f:(.0x2cf0):undefedreferencedgebs2d'
pzhettrd.f:(.text+0x2e20): undefined reference to dbr2dCHPChomenmonamascalapack-1.8.0libscalapack.a(pzhetd2.o):Infunctionpzhetd2':
pzhetd2.f:(.text+0xd0): undefined reference to blacsgridfopzhetd2.f:(.0x288):undefedreferenceblacs_abort'
pzhetd2.f:(.text+0x7c8): undefined reference to zbs2dpzhetd2.f:(.0x8dc):undefedreferencezgebr2d'
pzhetd2.f:(.text+0xedc): undefined reference to zbs2dpzhetd2.f:(.0xf44):undefedreferencezgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzlanhe.o): In function pzlanhe:pzlanhe.f:(.0xb4):undefedreferenceblacs_gridinfo'
pzlanhe.f:(.text+0x310): undefined reference to dbs2dpzlanhe.f:(.0x3d4):undefedreferencedgebr2d'
pzlanhe.f:(.text+0xcf4): undefined reference to dgamx2dpzlanhe.f:(.0x25a8):undefedreferencedgsum2d'
pzlanhe.f:(.text+0x2644): undefined reference to dg2dpzlanhe.f:(.0x27d4):undefedreferencedgamx2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzlascl.o): In function pzlascl:pzlascl.f:(.0xbc):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzlatrd.o): In function pzlatrd:pzlatrd.f:(.0xd4):undefedreferenceblacs_gridinfo'
pzlatrd.f:(.text+0x514): undefined reference to pzmvpzlatrd.f:(.0x63c):undefedreferencepzgemv'
pzlatrd.f:(.text+0x890): undefined reference to pzhemvpzlatrd.f:(.0x984):undefedreferencepzgemv'
pzlatrd.f:(.text+0xa48): undefined reference to pzmvpzlatrd.f:(.0xb0c):undefedreferencepzgemv'
pzlatrd.f:(.text+0xbcc): undefined reference to pzmvpzlatrd.f:(.0xc14):undefedreferencepzscal'
pzlatrd.f:(.text+0xc70): undefined reference to pz.cpzlatrd.f:(.0xd14):undefedreferencepzaxpy'
pzlatrd.f:(.text+0xe0c): undefined reference to dbs2dpzlatrd.f:(.0xef0):undefedreferencedgebr2d'
pzlatrd.f:(.text+0x11ec): undefined reference to pzmvpzlatrd.f:(.0x12fc):undefedreferencepzgemv'
pzlatrd.f:(.text+0x157c): undefined reference to pzhemvpzlatrd.f:(.0x1660):undefedreferencepzgemv'
pzlatrd.f:(.text+0x1744): undefined reference to pzmvpzlatrd.f:(.0x1818):undefedreferencepzgemv'
pzlatrd.f:(.text+0x18f4): undefined reference to pzmvpzlatrd.f:(.0x194c):undefedreferencepzscal'
pzlatrd.f:(.text+0x19c8): undefined reference to pz.cpzlatrd.f:(.0x1a84):undefedreferencepzaxpy'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzpotrf.o): In function pzpotrf:pzpotrf.f:(.0xc4):undefedreferenceblacs_gridinfo'
pzpotrf.f:(.text+0x238): undefined reference to pbtpzpotrf.f:(.0x274):undefedreferencepb_topget'
pzpotrf.f:(.text+0x2b4): undefined reference to pbsetpzpotrf.f:(.0x2f4):undefedreferencepb_topset'
pzpotrf.f:(.text+0x430): undefined reference to pztrsmpzpotrf.f:(.0x4c8):undefedreferencepzherk'
pzpotrf.f:(.text+0x640): undefined reference to pbsetpzpotrf.f:(.0x674):undefedreferencepb_topset'
pzpotrf.f:(.text+0x78c): undefined reference to pztrsmpzpotrf.f:(.0x828):undefedreferencepzherk'
pzpotrf.f:(.text+0x874): undefined reference to pbsetpzpotrf.f:(.0x8ac):undefedreferencepb_topset'
pzpotrf.f:(.text+0x9ec): undefined reference to pztrsmpzpotrf.f:(.0xa88):undefedreferencepzherk'
pzpotrf.f:(.text+0xc20): undefined reference to pztrsmpzpotrf.f:(.0xcb8):undefedreferencepzherk'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzstein.o): In function pzste:pzste.f:(.0xa4):undefedreferenceblacs_gridinfo'
pzstein.f:(.text+0xfa0): undefined reference to ibs2dpzste.f:(.0x1018):undefedreferenceigebr2d'
pzstein.f:(.text+0x1070): undefined reference to ibr2dpzste.f:(.0x15f8):undefedreferenceigebs2d'
pzstein.f:(.text+0x18c8): undefined reference to igamn2dpzste.f:(.0x1980):undefedreferencedgebs2d'
pzstein.f:(.text+0x19e8): undefined reference to dbr2dCHPChomenmonamascalapack-1.8.0libscalapack.a(pztrtri.o):Infunctionpztrtri':
pztrtri.f:(.text+0xc0): undefined reference to blacsgridfopztrtri.f:(.0x400):undefedreferencepztrmm'
pztrtri.f:(.text+0x49c): undefined reference to pztrsmpztrtri.f:(.0x67c):undefedreferencepztrmm'
pztrtri.f:(.text+0x71c): undefined reference to pztrsmpztrtri.f:(.0x868):undefedreferencepztrmm'
pztrtri.f:(.text+0x8e4): undefined reference to pztrsmpztrtri.f:(.0xe48):undefedreferenceigamx2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzunmtr.o): In function pzunmtr:pzunmtr.f:(.0xb0):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzlaevswp.o): In function pzlaevswp:pzlaevswp.f:(.0x9c):undefedreferenceblacs_gridinfo'
pzlaevswp.f:(.text+0x470): undefined reference to dsd2dpzlaevswp.f:(.0x738):undefedreferencedgerv2d'
pzlaevswp.f:(.text+0xa0c): undefined reference to drv2dCHPChomenmonamascalapack-1.8.0libscalapack.a(pzlamr1d.o):Infunctionpzlamr1d':
pzlamr1d.f:(.text+0x14c): undefined reference to pzmr2dpzlamr1d.f:(.0x164):undefedreferenceblacs_gridinfo'
pzlamr1d.f:(.text+0x1c8): undefined reference to zbs2dpzlamr1d.f:(.0x250):undefedreferencezgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(chk1mat.o): In function chk1mat:chk1mat.f:(.0x104):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pchkxmat.o): In function globchk:(.0xa5c):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pchkxmat.o): In function globchk:(.0xad4):undefedreferenceigebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pchkxmat.o): In function globchk:(.0xbd0):undefedreferenceigamn2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pchkxmat.o): In function globchk:(.0xc58):undefedreferenceigebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pchkxmat.o): In function globchk:(.0xcd0):undefedreferenceigamn2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdcol2row.o): In function pdcol2row:pdcol2row.f:(.0x8c):undefedreferenceblacs_gridinfo'
pdcol2row.f:(.text+0x1bc): undefined reference to drv2dpdcol2row.f:(.0x280):undefedreferencedgesd2d'
pdcol2row.f:(.text+0x554): undefined reference to drv2dpdcol2row.f:(.0x81c):undefedreferencedgesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdtreecomb.o): In function pdtreecomb:(.0xa4):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdtreecomb.o): In function pdtreecomb:(.0x230):undefedreferencedgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdtreecomb.o): In function pdtreecomb:(.0x2b8):undefedreferencedgebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdtreecomb.o): In function pdtreecomb:(.0x32c):undefedreferencedgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdtreecomb.o): In function pdtreecomb:(.0x3a0):undefedreferencedgesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdtreecomb.o): In function pdtreecomb:(.0x4a8):undefedreferencedgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdelset.o): In function pset:pset.f:(.0x4c):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzelset.o): In function pzelset:pzelset.f:(.0x4c):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzelget.o): In function pzelt:pzelt.f:(.0x68):undefedreferenceblacs_gridinfo'
pzelget.f:(.text+0x15c): undefined reference to zbs2dpzelt.f:(.0x1c4):undefedreferencezgebr2d'
pzelget.f:(.text+0x294): undefined reference to zbs2dpzelt.f:(.0x2f8):undefedreferencezgebr2d'
pzelget.f:(.text+0x3c0): undefined reference to zbs2dpzelt.f:(.0x434):undefedreferencezgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pjlaenv.o): In function pjlaenv:pjlaenv.f:(.0x200):undefedreferenceigamx2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdlamr1d.o): In function pdlamr1d:pdlamr1d.f:(.0x14c):undefedreferencepdgemr2d'
pdlamr1d.f:(.text+0x164): undefined reference to blacsgridfopdlamr1d.f:(.0x1c8):undefedreferencedgebs2d'
pdlamr1d.f:(.text+0x250): undefined reference to dbr2dCHPChomenmonamascalapack-1.8.0libscalapack.a(pdlamch.o):Infunctionpdlamch':
pdlamch.f:(.text+0x154): undefined reference to dgamx2dpdlamch.f:(.0x224):undefedreferencedgamn2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdlared1d.o): In function pdlared1d:pdlared1d.f:(.0x6c):undefedreferenceblacs_gridinfo'
pdlared1d.f:(.text+0x12c): undefined reference to dbs2dpdlared1d.f:(.0x190):undefedreferencedgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0xc8):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x330):undefedreferencedgebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x398):undefedreferencedgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x504):undefedreferenceblacs_pnum'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x578):undefedreferenceblacs_get'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x590):undefedreferenceblacs_gridmap'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x5a8):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0xc40):undefedreferencepdlasnbt'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0xe34):undefedreferenceigsum2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x104c):undefedreferencepdlaiectb'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x105c):undefedreferencepdlaiectl'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x10a0):undefedreferencepdlaiectb'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x10b0):undefedreferencepdlaiectl'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x1208):undefedreferenceigsum2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x12c4):undefedreferenceigebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x1d0c):undefedreferenceblacs_freebuff'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x1d14):undefedreferenceblacs_gridexit'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x1de8):undefedreferenceigebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x1e28):undefedreferencedgebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x1e68):undefedreferenceigebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x1f50):undefedreferenceigebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x1fb8):undefedreferenceigebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x2014):undefedreferencedgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x207c):undefedreferenceigebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x229c):undefedreferencedgesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x22d0):undefedreferenceigesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x232c):undefedreferencedgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x2360):undefedreferenceigerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x26fc):undefedreferencepdlaiectb'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x2714):undefedreferencepdlaiectl'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x2778):undefedreferencepdlaiectb'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdstebz:(.0x2790):undefedreferencepdlaiectl'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdlaebz:(.0x2e10):undefedreferencepdlaiectb'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdlaebz:(.0x2e1c):undefedreferencepdlaiectl'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdlaebz:(.0x3210):undefedreferencepdlaiectb'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdlaebz:(.0x3228):undefedreferencepdlaiectl'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdlaebz:(.0x35a8):undefedreferencepdlaiectb'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pdstebz.o): In function pdlaebz:(.0x35c0):undefedreferencepdlaiectl'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzlacgv.o): In function pzlacgv:pzlacgv.f:(.0x74):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzlarfg.o): In function pzlarfg:pzlarfg.f:(.0x98):undefedreferenceblacs_gridinfo'
pzlarfg.f:(.text+0x188): undefined reference to zbs2dpzlarfg.f:(.0x1d0):undefedreferencepdznrm2'
pzlarfg.f:(.text+0x298): undefined reference to pzdscalpzlarfg.f:(.0x2ec):undefedreferencepzdscal'
pzlarfg.f:(.text+0x364): undefined reference to pdznrm2pzlarfg.f:(.0x444):undefedreferencepzscal'
pzlarfg.f:(.text+0x560): undefined reference to pzscalpzlarfg.f:(.0x690):undefedreferencezgebr2d'
pzlarfg.f:(.text+0x78c): undefined reference to zbs2dpzlarfg.f:(.0x804):undefedreferencezgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzpotf2.o): In function pzpotf2:pzpotf2.f:(.0xc8):undefedreferenceblacs_gridinfo'
pzpotf2.f:(.text+0x218): undefined reference to blacsabortpzpotf2.f:(.0x348):undefedreferencepb_topget'
pzpotf2.f:(.text+0x384): undefined reference to pbtpzpotf2.f:(.0x59c):undefedreferenceigebs2d'
pzpotf2.f:(.text+0x5f0): undefined reference to ibr2dpzpotf2.f:(.0x630):undefedreferenceigebs2d'
pzpotf2.f:(.text+0x824): undefined reference to ibr2dpzpotf2.f:(.0xb74):undefedreferenceigebs2d'
pzpotf2.f:(.text+0xbc4): undefined reference to ibr2dpzpotf2.f:(.0xc10):undefedreferenceigebs2d'
pzpotf2.f:(.text+0xc64): undefined reference to ibr2dCHPChomenmonamascalapack-1.8.0libscalapack.a(pztrti2.o):Infunctionpztrti2':
pztrti2.f:(.text+0x9c): undefined reference to blacsgridfopztrti2.f:(.0x1c0):undefedreferenceblacs_abort'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzunmql.o): In function pzunmql:pzunmql.f:(.0xbc):undefedreferenceblacs_gridinfo'
pzunmql.f:(.text+0x410): undefined reference to pbtpzunmql.f:(.0x448):undefedreferencepb_topget'
pzunmql.f:(.text+0x544): undefined reference to pbsetpzunmql.f:(.0x590):undefedreferencepb_topset'
pzunmql.f:(.text+0x5cc): undefined reference to pbsetpzunmql.f:(.0x960):undefedreferencepb_topset'
pzunmql.f:(.text+0x990): undefined reference to pbsetCHPChomenmonamascalapack-1.8.0libscalapack.a(pzunmqr.o):Infunctionpzunmqr':
pzunmqr.f:(.text+0xb8): undefined reference to blacsgridfopzunmqr.f:(.0x418):undefedreferencepb_topget'
pzunmqr.f:(.text+0x450): undefined reference to pbtpzunmqr.f:(.0x554):undefedreferencepb_topset'
pzunmqr.f:(.text+0x5a0): undefined reference to pbsetpzunmqr.f:(.0x5dc):undefedreferencepb_topset'
pzunmqr.f:(.text+0x8ec): undefined reference to pbsetpzunmqr.f:(.0x91c):undefedreferencepb_topset'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzlarfb.o): In function pzlarfb:pzlarfb.f:(.0xd4):undefedreferenceblacs_gridinfo'
pzlarfb.f:(.text+0x464): undefined reference to pbtpzlarfb.f:(.0x4b8):undefedreferencezgebs2d'
pzlarfb.f:(.text+0x520): undefined reference to ztrbs2dpzlarfb.f:(.0x5ac):undefedreferencezgebr2d'
pzlarfb.f:(.text+0x61c): undefined reference to ztrbr2dpzlarfb.f:(.0x90c):undefedreferencezgsum2d'
pzlarfb.f:(.text+0x9c8): undefined reference to zbs2dpzlarfb.f:(.0xb14):undefedreferencezgebr2d'
pzlarfb.f:(.text+0x131c): undefined reference to zg2dpzlarfb.f:(.0x1398):undefedreferenceztrbs2d'
pzlarfb.f:(.text+0x1440): undefined reference to zbs2dpzlarfb.f:(.0x148c):undefedreferencezgebr2d'
pzlarfb.f:(.text+0x15d8): undefined reference to ztrbr2dpzlarfb.f:(.0x1910):undefedreferencepb_topget'
pzlarfb.f:(.text+0x1960): undefined reference to zbs2dpzlarfb.f:(.0x19c8):undefedreferenceztrbs2d'
pzlarfb.f:(.text+0x1a4c): undefined reference to zbr2dpzlarfb.f:(.0x1ab8):undefedreferenceztrbr2d'
pzlarfb.f:(.text+0x1db0): undefined reference to zg2dpzlarfb.f:(.0x1e74):undefedreferencezgebs2d'
pzlarfb.f:(.text+0x1fa4): undefined reference to zbr2dpzlarfb.f:(.0x27c4):undefedreferencezgsum2d'
pzlarfb.f:(.text+0x2848): undefined reference to ztrbs2dpzlarfb.f:(.0x28ec):undefedreferencezgebs2d'
pzlarfb.f:(.text+0x2930): undefined reference to zbr2dpzlarfb.f:(.0x2a98):undefedreferenceztrbr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzlarft.o): In function pzlarft:pzlarft.f:(.0xc8):undefedreferenceblacs_gridinfo'
pzlarft.f:(.text+0x49c): undefined reference to zg2dpzlarft.f:(.0xa28):undefedreferencezgsum2d'
pzlarft.f:(.text+0xf64): undefined reference to zg2dpzlarft.f:(.0x151c):undefedreferencezgsum2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzunm2l.o): In function pzunm2l:pzunm2l.f:(.0xc8):undefedreferenceblacs_gridinfo'
pzunm2l.f:(.text+0x43c): undefined reference to blacsabortpzunm2l.f:(.0x734):undefedreferencezgebr2d'
pzunm2l.f:(.text+0x904): undefined reference to zbs2dpzunm2l.f:(.0xa78):undefedreferencezgesd2d'
pzunm2l.f:(.text+0xac8): undefined reference to zrv2dpzunm2l.f:(.0xb30):undefedreferencepb_topget'
pzunm2l.f:(.text+0xb6c): undefined reference to pbtpzunm2l.f:(.0xc1c):undefedreferencepb_topset'
pzunm2l.f:(.text+0xc74): undefined reference to pbsetpzunm2l.f:(.0xcb0):undefedreferencepb_topset'
pzunm2l.f:(.text+0xec8): undefined reference to pbsetpzunm2l.f:(.0xefc):undefedreferencepb_topset'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzunm2r.o): In function pzunm2r:pzunm2r.f:(.0xc8):undefedreferenceblacs_gridinfo'
pzunm2r.f:(.text+0x43c): undefined reference to blacsabortpzunm2r.f:(.0x734):undefedreferencezgebr2d'
pzunm2r.f:(.text+0x904): undefined reference to zbs2dpzunm2r.f:(.0xa78):undefedreferencezgesd2d'
pzunm2r.f:(.text+0xac8): undefined reference to zrv2dpzunm2r.f:(.0xb30):undefedreferencepb_topget'
pzunm2r.f:(.text+0xb6c): undefined reference to pbtpzunm2r.f:(.0xc1c):undefedreferencepb_topset'
pzunm2r.f:(.text+0xc6c): undefined reference to pbsetpzunm2r.f:(.0xca8):undefedreferencepb_topset'
pzunm2r.f:(.text+0xecc): undefined reference to pbsetpzunm2r.f:(.0xf00):undefedreferencepb_topset'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzelset2.o): In function pzelset2:pzelset2.f:(.0x54):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0xe0):undefedreferenceblacs_gridinfo'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x730):undefedreferencezgesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x7b0):undefedreferencezgebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x808):undefedreferencezgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x8c0):undefedreferencezgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x91c):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x9b4):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0xc70):undefedreferencezgesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0xd18):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0xde0):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0xeb8):undefedreferencezgesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0xfa8):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1028):undefedreferencezgebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x113c):undefedreferencezgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1604):undefedreferencezgesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1684):undefedreferencezgebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x16d8):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1770):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x19cc):undefedreferencezgesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1a74):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1b3c):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1c18):undefedreferencezgesd2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1d0c):undefedreferencezgerv2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1d8c):undefedreferencezgebs2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztran.o): In function pbztran:(.0x1ea0):undefedreferencezgebr2d'
/CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrget.o): In function pbztrt:pbztrt.f:(.0x1fc):undefedreferencezgerv2d'
pbztrget.f:(.text+0x258): undefined reference to zsd2dpbztrt.f:(.0x298):undefedreferencezgesd2d'
pbztrget.f:(.text+0x4ec): undefined reference to zrv2dCHPChomenmonamascalapack-1.8.0libscalapack.a(pzlarf.o):Infunctionpzlarf':
pzlarf.f:(.text+0xcc): undefined reference to blacsgridfopzlarf.f:(.0x4b4):undefedreferencezgsum2d'
pzlarf.f:(.text+0x65c): undefined reference to zrv2dpzlarf.f:(.0x7bc):undefedreferencezgsum2d'
pzlarf.f:(.text+0x954): undefined reference to zsd2dpzlarf.f:(.0xaf8):undefedreferencezgebs2d'
pzlarf.f:(.text+0xc38): undefined reference to zg2dpzlarf.f:(.0xe34):undefedreferencezgebr2d'
pzlarf.f:(.text+0xff0): undefined reference to zbs2dpzlarf.f:(.0x106c):undefedreferencezgebr2d'
pzlarf.f:(.text+0x1100): undefined reference to zg2dpzlarf.f:(.0x1284):undefedreferencezgsum2d'
pzlarf.f:(.text+0x13b0): undefined reference to pbtpzlarf.f:(.0x1470):undefedreferencezgebs2d'
pzlarf.f:(.text+0x14f4): undefined reference to zbr2dpzlarf.f:(.0x15ac):undefedreferencezgsum2d'
pzlarf.f:(.text+0x171c): undefined reference to zg2dpzlarf.f:(.0x19e8):undefedreferencezgsum2d'
pzlarf.f:(.text+0x1b60): undefined reference to zrv2dpzlarf.f:(.0x1cbc):undefedreferencezgsum2d'
pzlarf.f:(.text+0x1e54): undefined reference to zsd2dpzlarf.f:(.0x1ffc):undefedreferencezgebs2d'
pzlarf.f:(.text+0x2140): undefined reference to zgsum2d' pzlarf.f:(.text+0x2330): undefined reference to zgebr2d'
pzlarf.f:(.text+0x2388): undefined reference to pb_topget' pzlarf.f:(.text+0x243c): undefined reference to zgebs2d'
pzlarf.f:(.text+0x24b0): undefined reference to zgebr2d' pzlarf.f:(.text+0x2600): undefined reference to zgsum2d'
pzlarf.f:(.text+0x28d4): undefined reference to zgebs2d' pzlarf.f:(.text+0x2958): undefined reference to zgebr2d'
pzlarf.f:(.text+0x2a94): undefined reference to zgsum2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pzlarfc.o): In function pzlarfc':
pzlarfc.f:(.text+0xcc): undefined reference to blacs_gridinfo' pzlarfc.f:(.text+0x4b4): undefined reference to zgsum2d'
pzlarfc.f:(.text+0x658): undefined reference to zgerv2d' pzlarfc.f:(.text+0x7b4): undefined reference to zgsum2d'
pzlarfc.f:(.text+0x94c): undefined reference to zgesd2d' pzlarfc.f:(.text+0xae8): undefined reference to zgebs2d'
pzlarfc.f:(.text+0xc30): undefined reference to zgsum2d' pzlarfc.f:(.text+0xe24): undefined reference to zgebr2d'
pzlarfc.f:(.text+0xfe4): undefined reference to zgebs2d' pzlarfc.f:(.text+0x1064): undefined reference to zgebr2d'
pzlarfc.f:(.text+0x11a4): undefined reference to zgsum2d' pzlarfc.f:(.text+0x131c): undefined reference to pb_topget'
pzlarfc.f:(.text+0x13d8): undefined reference to zgebs2d' pzlarfc.f:(.text+0x1454): undefined reference to zgebr2d'
pzlarfc.f:(.text+0x15b4): undefined reference to zgsum2d' pzlarfc.f:(.text+0x1864): undefined reference to zgsum2d'
pzlarfc.f:(.text+0x19b0): undefined reference to zgerv2d' pzlarfc.f:(.text+0x1b08): undefined reference to zgsum2d'
pzlarfc.f:(.text+0x1ca0): undefined reference to zgesd2d' pzlarfc.f:(.text+0x1e40): undefined reference to zgebs2d'
pzlarfc.f:(.text+0x1f8c): undefined reference to zgsum2d' pzlarfc.f:(.text+0x2174): undefined reference to zgebr2d'
pzlarfc.f:(.text+0x21d8): undefined reference to pb_topget' pzlarfc.f:(.text+0x2280): undefined reference to zgebs2d'
pzlarfc.f:(.text+0x23d8): undefined reference to zgsum2d' pzlarfc.f:(.text+0x2594): undefined reference to zgebr2d'
pzlarfc.f:(.text+0x26fc): undefined reference to zgebs2d' pzlarfc.f:(.text+0x2784): undefined reference to zgebr2d'
pzlarfc.f:(.text+0x28c8): undefined reference to zgsum2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0xbc): undefined reference to blacs_gridinfo' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x77c): undefined reference to zgesd2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x80c): undefined reference to zgebs2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x86c): undefined reference to zgebr2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x934): undefined reference to zgebr2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x9a8): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0xa3c): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0xd18): undefined reference to zgesd2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0xdd4): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0xea4): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x106c): undefined reference to zgesd2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x10b0): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x11b8): undefined reference to zgebs2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x128c): undefined reference to zgebr2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x17a0): undefined reference to zgesd2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x1830): undefined reference to zgebs2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x189c): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x1930): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x1bac): undefined reference to zgesd2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x1c68): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x1d38): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x1f00): undefined reference to zgesd2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x1f44): undefined reference to zgerv2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x204c): undefined reference to zgebs2d' /CHPC/home/nmonama/scalapack-1.8.0/libscalapack.a(pbztrnv.o): In function pbztrnv':
(.text+0x2120): undefined reference to `zgebr2d'
make: *** [vasp.bgp] Error 1

My Makefile is as follows:
.SUFFIXES: .inc .f .F
#-----------------------------------------------------------------------
# Makefile for RS 6000/ SP2, SP3 and possibly SP4
# you might also try the makefile.hlrn supplied by Bernd Kallies <kallies@zib.de>
#
#
# Attention:
# =======================
# present default optimisation is -O3, but you might try -O4 as well
#
# several files are optimized less aggressive (see bottom of the makefile),
# since agressive optimisation of those files caused VASP to bomb
# in one or the other compiler version
# because it was impossible to keep track of which file is not
# properly compiled by which version, all files that
# are problematic in one or the other version are compiled
# with lower optimisation
#
# ZHEEVX was not working properly with some version
# if you have problems remove
# #define USE_ZHEEVX
# from subrot.F, davidson.F and wavepre_noio.F
#
#-----------------------------------------------------------------------

# all CPP processed fortran files have the extension .f
SUFFIX=.f

#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=mpixlf90_r -g -qfree=f90
FCL=$(FC)

#-----------------------------------------------------------------------
# C-preprocessor define any of the flags given below
# MPI generate parallel version
# NGZhalf charge density reduced in Z direction
# wNGZhalf gamma point only reduced in Z direction
# CACHE_SIZE 5001 for SP3 and Power 3
# 32768 for 550,590,3CT
# 8001 595/397 quad word systems
# scaLAPACK use scaLAPACK
#
# IBM
# use_allreduce : force mpi_allreduce usage by block of MPI_BLOCK
#-----------------------------------------------------------------------
# Add -DwNGZhalf for gamma point only
CPP = /usr/bin/cpp -P -C -DHOST=\"BlueGene\" -DMPI -DNGZhalf \
-Duse_collective -Davoidalloc -DscaLAPACK \
-DCACHE_SIZE=4000 -DMPI_BLOCK=50000 $*.F >$*.f

#-----------------------------------------------------------------------
# general fortran flags, none required
#-----------------------------------------------------------------------

#FFLAGS = -O3 -qstrict -qarch=450d -qtune=450 -qmaxmem=-1
FFLAGS = -qarch=450d -qtune=450 -qmaxmem=-1
#PK 2009/6/3 No opt Works
#FFLAGS = -O0 -g -qstrict -qarch=450d -qtune=450 -qmaxmem=-1

#-----------------------------------------------------------------------
# optimization:
# optimise for the machine on which the code is compiled
#-----------------------------------------------------------------------

#OFLAG = -O3 -qstrict -qarch=450d -qtune=450 -qmaxmem=-1
OFLAG = -O3 -qstrict
#PK 2009/6/3 No opt works
#OFLAG = -O0 -g -qstrict -qarch=450d -qtune=450 -qmaxmem=-1
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH = none
OBJ_NOOPT = none
DEBUG = -g
INCS = -I/bgsys/ibm_essl/sles10/prod/opt/ibmmath/include
INLINE = $(OFLAG)

#-----------------------------------------------------------------------
# maybe one need to set an include path (usually not required)
#-----------------------------------------------------------------------

#-----------------------------------------------------------------------
# options for linking
# the following option increases the size of the data frame
# the default makefile does not include support for scaLAPACK
# since problems with scaLAPACK were reported
#
#-----------------------------------------------------------------------



LIBSCA = /CHPC/home/nmonama/scalapack-1.8.0
LIBBLACS = /CHPC/home/nmonama/BLACS/LIB
LIBLOC = /CHPC/home/nmonama/lapack-3.2.1
# LIBTOOLS = ../lib_bgp
SCALAPACK = -L$(LIBSCA) -lscalapack -L$(LIBBLACS) -lblacsF77init_MPI-BGP-0 -lblacs_MPI-BGP-0

#ESSL = ../vasp.5.lib/dsygv.o ../vasp.5.lib/dgegv.o -L/opt/ibmmath/essl/4.4/lib -lesslbg
#ESSL = ../vasp.5.lib/dsygv.o ../vasp.5.lib/dgegv.o -L/opt/ibmmath/essl/4.4/lib -lesslbg
#ESSL = -L/soft/apps/ESSL-4.4/lib -lesslbg
ESSL = -L/bgsys/ibm_essl/sles10/prod/opt/ibmmath/lib -lesslbg

#ESSL = ../vasp.4.lib/dsygv.o ../vasp.4.lib/dgegv.o -L/opt/ibmmath/essl/4.3/lib -lesslbg /opt/ibmcmp/xlmass/bg/4.4/bglib/libmass.a /opt/ibmcmp/xlmass/bg/4.4/bglib/libmassv.a
LIB = -L../vasp.5.lib -ldmy $(SCALAPACK) -L$(LIBLOC) -llapack_bgp $(ESSL)

#-----------------------------------------------------------------------
# specify 3d-fft to be used with VASP
#-----------------------------------------------------------------------
FFT3D = fftmpi.o fftmpi_map.o fft3dfurth.o fft3dlib.o

#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC= symmetry.o symlib.o lattlib.o random.o

SOURCE= base.o mpi.o smart_allocate.o xml.o \
constant.o jacobi.o main_mpi.o scala.o \
asa.o lattice.o poscar.o ini.o xclib.o xclib_grad.o \
radial.o pseudo.o mgrid.o gridq.o ebs.o \
mkpoints.o wave.o wave_mpi.o wave_high.o \
$(BASIC) nonl.o nonlr.o nonl_high.o dfast.o choleski2.o \
mix.o hamil.o xcgrad.o xcspin.o potex1.o potex2.o \
metagga.o constrmag.o cl_shift.o relativistic.o LDApU.o \
paw_base.o egrad.o pawsym.o pawfock.o pawlhf.o paw.o \
mkpoints_full.o charge.o dipol.o pot.o \
dos.o elf.o tet.o tetweight.o hamil_rot.o \
steep.o chain.o dyna.o sphpro.o us.o core_rel.o \
aedens.o wavpre.o wavpre_noio.o broyden.o \
dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \
brent.o stufak.o fileio.o opergrid.o stepver.o \
chgloc.o fast_aug.o fock.o mkpoints_change.o sym_grad.o \
mymath.o internals.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o \
hamil_high.o nmr.o force.o \
pead.o subrot.o subrot_scf.o pwlhf.o gw_model.o optreal.o davidson.o \
electron.o rot.o electron_all.o shm.o pardens.o paircorrection.o \
optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o \
hamil_lr.o rmm-diis_lr.o subrot_cluster.o subrot_lr.o \
lr_helper.o hamil_lrf.o elinear_response.o ilinear_response.o \
linear_optics.o linear_response.o \
setlocalpp.o wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o \
ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o local_field.o \
ump2.o bse.o acfdt.o chi.o sydmat.o

INC=

vasp.bgp: $(SOURCE) $(FFT3D) $(INC) main.o
rm -f vasp.bgp
$(FCL) -o vasp.bgp main.o $(SOURCE) $(FFT3D) $(LIB) $(LINK)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
$(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB)
zgemmtest: zgemmtest.o base.o random.o $(INC)
$(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB)
dgemmtest: dgemmtest.o base.o random.o $(INC)
$(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
$(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
$(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB)

clean:
-rm -f *.g *.f *.o *.L *.mod ; touch *.F

main.o: main$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX)

makeparam.o: makeparam$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX)

makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F

$(OBJ_HIGH):
$(CPP)
$(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
$(CPP)
$(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)

fft3dlib_f77.o: fft3dlib_f77.F
$(CPP)
$(F77) $(FFLAGS_F77) -c $*$(SUFFIX)

.F.o:
$(CPP)
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
$(CPP)
$(SUFFIX).o:
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)

# special rules
#-----------------------------------------------------------------------

radial.o: radial.F
$(CPP)
$(FC) $(FFLAGS) $(INCS) -O2 -c $*$(SUFFIX)

wave.o: wave.F
$(CPP)
$(FC) $(FFLAGS) $(INCS) -O2 -c $*$(SUFFIX)

metagga.o: metagga.F
$(CPP)
$(FC) $(FFLAGS) $(INCS) -O2 -c $*$(SUFFIX)

nonl.o: nonl.F
$(CPP)
$(FC) $(FFLAGS) $(INCS) -O -c $*$(SUFFIX)

paw.o: paw.F
$(CPP)
$(FC) $(FFLAGS) $(INCS) -O1 -c $*$(SUFFIX)

pseudo.o: pseudo.F
$(CPP)
$(FC) $(FFLAGS) $(INCS) -O1 -c $*$(SUFFIX)

Regards,
Last edited by nkwem on Mon Jul 05, 2010 8:51 am, edited 1 time in total.

support_vasp
Global Moderator
Global Moderator
Posts: 1824
Joined: Mon Nov 18, 2019 11:00 am

Re: compiling vasp.5.2 on BlueGene/P

#2 Post by support_vasp » Wed Sep 04, 2024 12:29 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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