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
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About the roll of BLACS and SCALAPACK
Last edited by cyc99 on Wed Dec 12, 2007 8:06 am, edited 1 time in total.
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About the roll of BLACS and SCALAPACK
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?
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?
Last edited by admin on Mon Jan 28, 2008 8:47 am, edited 1 time in total.