NWChem FAQSGI
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
Contact: NWChem Support Updated: February 22, 2005 |