| 5:30:15 PM PDT - Mon, Aug 8th 2011 |
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Lets take this step by step and start from a clean build.
1. Do a make realclean in nwchem-src/2011-Jun-20/src/
Set the following environment variables:
setenv LARGE_FILES TRUE
setenv NWCHEM_TOP /home/ssk87/nwchem-src-2011-Jun-20
setenv NWCHEM_TARGET LINUX64
setenv IFORTHOME /opt/intel/fce/10.1.018
setenv ICCHOME /opt/intel/cce/10.1.018
source $IFORTHOME/bin/ifortvars.csh
setenv USE_MPI y
setenv MPI_LOC /usr/mpi/intel/mvapich-1.0.1 #location of mpich
setenv MPI_LIB $MPI_LOC/lib
setenv MPI_INCLUDE $MPI_LOC/include
setenv LIBMPI '-libfmpich -libmpich -libpmpich'
setenv IB_HOME /usr
setenv IB_INCLUDE /usr/include/infiniband
setenv IB_LIB
setenv ARMCI_NETWORK OPENIB
Unset any other ones you set before, such as IB_LIB_NAME.
2. make nwchem_config NWCHEM_MODULES=all
3. make
If you get the OPENIB error you had before, locate the libibverbs.so library. Point IB_LIB to the directory in which this library resides and do a make again.
If it builds, run NWChem without an input deck (does a dummy run).
Bert
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