NWChem Frequently Asked Questions

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# NWChem FAQ ## SGI How can I improve parallel performances under SGI? How can I improve performances under SGITFP? How do I install the MPI version of SGITFP? 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
NWChem | Capabilities | Platforms | Download | User's Manual | Programmer's Manual | Release Notes | FAQ Known Bugs | Support | Tutorial | Contributors | Benchmarks | Search | Mol Sci. Soft. Group | Citation Contact: NWChem Support Updated: February 22, 2005