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NWChem FAQ

SGI


How can I improve parallel performances under SGI?

Use the MPI vendor library, after defining the usual environmental variable to replace TCGMSG with MPI

USE_MPI=y


How can I improve performances under SGITFP?

Install the SCSL scientific library, freely available from the SGI web site , then link the code with the following environmental variable

BLASOPT=-lscs_blas_i8


How do I install the MPI version of SGITFP?

You need to have installed a 64-bit version of MPICH. In order to do that, you need to run configure with the following arguments

./configure --with-arch=IRIX64 --with-device=ch_p4 ---prefix=/usr/local\
--disable-f90 --disable-f90modules


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Updated: February 22, 2005