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About the roll of BLACS and SCALAPACK

Posted: Wed Dec 12, 2007 8:06 am
by cyc99
My system is Xeon(32bit) with 4CPUs

I compiled mpich using ifort with below flags or options.
FC= ifort
F77= ifort
F90= ifort
FFLAGS= '-O3 -tpp7 -nofor_main'
F90FLAGS= '-O3 -tpp7 -nofor_main'
./configure --without-romio --without-mpe --with-device=ch_shmem

And I compiled VASP.4.6 using mpif90 compiled above.
The options used are seen below.

FC= mpif90
BLAS= -L/opt/intel/cmkl/32/lib -lmkl -lguide -lpthread
LAPACK= -L/opt/intel/cmkl/32/lib -lmkl_lapack
LINK= -L/opt/intel/fc/lib -lsvml

I succeded to compile and vasp run well.
However, even if I add BLACS and SCALAPACK like below

BLACS= -L/opt/intel/cmkl/32/lib -lmkl_blacs
SCA= -L/opt/intel/cmkl/32/lib -lmkl_scalapack

there was no change in vasp binary file.

So, BLACS and SCA have no role in making vasp binary file?

Anybody who succeeded to compile vasp on Xeon using mpich
linked by ifort and mkl, please show me your makefile.

About the roll of BLACS and SCALAPACK

Posted: Mon Jan 28, 2008 8:47 am
by admin
if the libraries are not linked statically, you will not see any change in the executable itself, because they are used at run-time only.
please give "ldd vasp" to see if they are requested.
anyhow:
have you included them in the library list which has to be linked?
are these libraries installed in the denoted directories?