make vasp

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Sonny · #1 Post by **Sonny** » Mon Jun 14, 2010 10:52 pm

Hello;
having difficulty making vasp using intel mkl, openmpi, ifort.

/vasp.4.lib/libdmy.a(diolib.o) : In function `nxtfru_':
diolib.f:(.text+0x57): undefined reference to `_gfortran_st_inquire'
undefined reference etc etc...

the libdmy.a & diolib.o are in vasp.4.lib
Can anyone explain or clarify please??

alex · #2 Post by **alex** » Tue Jun 15, 2010 7:30 am

You need to compile both branches with the same compiler. You mention ifort, but gfortran is referenced. Curious!

alex

Sonny · #3 Post by **Sonny** » Wed Jun 16, 2010 12:29 am

Oh silly me ;

Thanks I finally have vasp on my desktop now.

alex · #4 Post by **alex** » Wed Jun 16, 2010 7:17 am

Happy VASPing!

Gu Chenjie · #5 Post by **Gu Chenjie** » Fri Dec 17, 2010 3:23 am

Dear All, is there a detailed intruction that help me build the VASP 5.2?
I am using ifort, icc, openmpi and em64t CPU
thanks a lot.

#6 Post by **admin** » Mon Jan 31, 2011 12:12 pm

please use the makefile which is most appropriate for the compiler and the architecture you use. (most probably, this will be the makefile.linux_ifc_P4,
please replace ifc by ifort.

vaspfonda · #7 Post by **vaspfonda** » Wed Mar 23, 2011 2:18 am

Dear all, I have problem with VASP 4.6 compilation. Please give me a hand.

I used pgf90, gcc, libgoto, liblapack-pgi, openmpi. My make file is based on "makefile.linux_pgi_opt" At the end of compilation, it show:

ld: cannot find -lrdmacm
make: *** [vasp] Error 1

Any idea? Thanks!

zeralans · #8 Post by **zeralans** » Sat Oct 08, 2011 7:47 am

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