Very strange problem when running parallel vasp5
Posted: Wed Mar 23, 2011 3:28 am
I used the latest vasp5.2.11 to calculate B4C crystal.
First I submit a task with 4 nodes, every node has 2 cpu. It means this task will distribute 8 parallel threads and all are normal.
Then I submit another VASP task. It is also with 4 nodes. This time the task can not be accepted. The error messages like the following:
vasp5.2.11: error while loading shared libraries: libmkl_lapack.so: cannot open shared object file: No such file or directory
It's a very strange problem. I compile vasp5.2.11 with Intel fortran/c 9.1 em64, mkl-9.1. And I also add library path to the ld_library_path.
================== Here is the intel fortran information========
Intel(R) Fortran Compiler for Intel(R) EM64T-based applications, Version 9.1 Build 20071016 Package ID: l_fc_c_9.1.052
Copyright (C) 1985-2007 Intel Corporation. All rights reserved.
FOR NON-COMMERCIAL USE ONLY
==============end of intel fortran information==========
I want to know if the "NON-COMMERCIAL INTEL FORTRAN and MKL" limit the concurrent threads.
The following is the option when compiling parallel vasp5.2.11
BLAS= -L/opt/intel/mkl/9.1.023/lib/em64t -lmkl_em64t -lguide -lpthread
LAPACK= -L/opt/intel/mkl/9.1.023/lib/em64t -lmkl_lapack
LIB = -L../vasp.5.lib -ldmy \
../vasp.5.lib/linpack_double.o $(LAPACK) \
$(BLAS)
LINK = -L/opt/intel/fce/9.1.052/lib/ -lsvml
~:(
First I submit a task with 4 nodes, every node has 2 cpu. It means this task will distribute 8 parallel threads and all are normal.
Then I submit another VASP task. It is also with 4 nodes. This time the task can not be accepted. The error messages like the following:
vasp5.2.11: error while loading shared libraries: libmkl_lapack.so: cannot open shared object file: No such file or directory
It's a very strange problem. I compile vasp5.2.11 with Intel fortran/c 9.1 em64, mkl-9.1. And I also add library path to the ld_library_path.
================== Here is the intel fortran information========
Intel(R) Fortran Compiler for Intel(R) EM64T-based applications, Version 9.1 Build 20071016 Package ID: l_fc_c_9.1.052
Copyright (C) 1985-2007 Intel Corporation. All rights reserved.
FOR NON-COMMERCIAL USE ONLY
==============end of intel fortran information==========
I want to know if the "NON-COMMERCIAL INTEL FORTRAN and MKL" limit the concurrent threads.
The following is the option when compiling parallel vasp5.2.11
BLAS= -L/opt/intel/mkl/9.1.023/lib/em64t -lmkl_em64t -lguide -lpthread
LAPACK= -L/opt/intel/mkl/9.1.023/lib/em64t -lmkl_lapack
LIB = -L../vasp.5.lib -ldmy \
../vasp.5.lib/linpack_double.o $(LAPACK) \
$(BLAS)
LINK = -L/opt/intel/fce/9.1.052/lib/ -lsvml
~:(