vasp installation problem
Posted: Wed Jul 18, 2007 9:53 am
my system is RH FC 4 cluster( 2.6.11-1.1369_FC4smp) and i installed intel mkl (/opt/intel/mkl/9.0/) and mpich2-1.0.5p4
I use pgi compiler.
in ~/VASP/src/vasp.4.lib, i used makefile.linux_pg as Makefile. (no change)
this error message is occuring
----
rm: cannot remove `libdmy.a': No such file or directory
make: [libdmy.a] Error 1 (ignored)
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o
ar: creating libdmy.a
a - preclib.o
a - timing_.o
a - derrf_.o
a - dclock_.o
a - diolib.o
a - dlexlib.o
a - drdatab.o
----
after this in ~/VASP/src/vasp.4.6/ i used makefile.linux_pg and made some changes.
#-----------------------------------------------------------------------
# the following lines specify the position of BLAS and LAPACK
# what you chose is very system dependent
# P4: VASP works fastest with Intels mkl performance library
# Athlon: Atlas based BLAS are presently the fastest
# P3: no clue
#-----------------------------------------------------------------------
# Atlas based libraries
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_ATHLONXP_SSE1/
#BLAS= -L$(ATLASHOME) -lf77blas -latlas
# use specific libraries (default library path points to other libraries)
#BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a
# use the mkl Intel libraries for p4 (www.intel.com)
BLAS=-L/opt/intel/mkl/9.0/lib/32 -lmkl_p4 -lpthread
# LAPACK, simplest use vasp.4.lib/lapack_double
LAPACK= ../vasp.4.lib/lapack_double.o
# use atlas optimized part of lapack
#LAPACK= ../vasp.4.lib/lapack_atlas.o -llapack -lcblas
# use the mkl Intel lapack
#LAPACK= -lmkl_lapack
the error message
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vdsin_'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vsCos'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vslDeleteStream'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vdSin'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `viRngUniformBits'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vslNewStream'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vssin_'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vdCos'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vsSin'
make: *** [vasp] Error 2
---
thank you for your help
I use pgi compiler.
in ~/VASP/src/vasp.4.lib, i used makefile.linux_pg as Makefile. (no change)
this error message is occuring
----
rm: cannot remove `libdmy.a': No such file or directory
make: [libdmy.a] Error 1 (ignored)
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o
ar: creating libdmy.a
a - preclib.o
a - timing_.o
a - derrf_.o
a - dclock_.o
a - diolib.o
a - dlexlib.o
a - drdatab.o
----
after this in ~/VASP/src/vasp.4.6/ i used makefile.linux_pg and made some changes.
#-----------------------------------------------------------------------
# the following lines specify the position of BLAS and LAPACK
# what you chose is very system dependent
# P4: VASP works fastest with Intels mkl performance library
# Athlon: Atlas based BLAS are presently the fastest
# P3: no clue
#-----------------------------------------------------------------------
# Atlas based libraries
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_ATHLONXP_SSE1/
#BLAS= -L$(ATLASHOME) -lf77blas -latlas
# use specific libraries (default library path points to other libraries)
#BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a
# use the mkl Intel libraries for p4 (www.intel.com)
BLAS=-L/opt/intel/mkl/9.0/lib/32 -lmkl_p4 -lpthread
# LAPACK, simplest use vasp.4.lib/lapack_double
LAPACK= ../vasp.4.lib/lapack_double.o
# use atlas optimized part of lapack
#LAPACK= ../vasp.4.lib/lapack_atlas.o -llapack -lcblas
# use the mkl Intel lapack
#LAPACK= -lmkl_lapack
the error message
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vdsin_'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vsCos'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vslDeleteStream'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vdSin'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `viRngUniformBits'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vslNewStream'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vssin_'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vdCos'
/opt/intel/mkl/9.0/lib/32/libmkl_p4.so: undefined reference to `vsSin'
make: *** [vasp] Error 2
---
thank you for your help