| 3:37:41 AM PST - Wed, Mar 6th 2013 |
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Yes I have followed the steps mentioned on webpage
But i did not use "make 64_32" as while compiling it stared giving undefined reference to "ycopy_" and related functions.
I have compiled on the following machines and am experiencing same error
1) CPU: Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz
OS: Red Hat Enterprise Linux Server release 6.2, Linux kernel 2.6.32-220.el6.x86_64
2) CPU: Intel(R) Xeon(R) CPU X5670 @ 2.93GHz
O.S: Red Hat Enterprise Linux Server release 6.1, Linux Kernel 2.6.32-131.0.15.el6.x86_64
3) Intel MPI Version 4.0.3
4) Intel(R) Math Kernel Library Version 11.0.1 Product Build 20121009 for Intel(R) 64 architecture applications
Major version: 11
Minor version: 0
Update version: 1
Product status: Product
Build: 20121009
Processor optimization: Intel(R) Advanced Vector Extensions (Intel(R) AVX) Enabled Processor
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I have used the following configuration script
export MPI_HOME=/opt/intel/impi/4.0.3
export NWCHEM_TOP=/gpfs/fs1/bench/himanshu/NWCHEM/TMP/nwchem-6.1.1-src
export LARGE_FILES=TRUE
export ENABLE_COMPONENT=yes
export TCGRSH=/usr/bin/ssh
export NWCHEM_TARGET=LINUX64
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export USE_64to32=yes
export ARMCI_NETWORK=OPENIB
export ARMCI_DEFAULT_SHMMAX=8192
export NWCHEM_MODULES=all
export MPI_LOC=$MPI_HOME
export MPI_LIB=$MPI_LOC/lib64
export MPI_INCLUDE=$MPI_LOC/include64
export LIBMPI="-O3 -xHOST -no-prec-div -funroll-loops -unroll-aggressive -lmpigf -lmpigi -lmpi_ilp64 -lmpi"
export BLASOPT="-L/opt/intel/composerxe/mkl/lib/intel64 -lmkl_blas95_ilp64"
export SCALAPACK="-i8 -I/opt/intel/composerxe/mkl/include/intel64/ilp64 -L/opt/intel/composerxe/mkl/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
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