>>>>> M D Wheeler writes: > Does anyone know if Molpro has been compiled on an opteron system?? > If not, does anyone know if it is possible??
The Opteron port is work in progress. There is a patch for 2002.6 that contains changes to the configure process to support such systems, and licence objects for i4 and i8. At the moment, the i4 version works well (all testjobs succeed), and we have found that performance with the ATLAS libraries is significantly better than with the ACML ones (<URL:http://developer.amd.com>). With all patches applied, it should be possible to configure the i4 version of Molpro 2002.6 by first making sure that the 32-bit compiler is in your path (i.e., 'which pgf90' should return something like /usr/pgi/linux86/5.0/bin/pgf90), then using './configure -pgf90'. Note that there are some unresolved problems with the i8 version, and all the above is for serial execution; we don't yet have a version working with Global Arrays on this platform. -- Dr. Matt Hodges School of Chemical Sciences University of Birmingham
