Molpro users, I am having a shared memory problem on my dual-proc Opteron based cluster under linux. Currently I'm running latest 32-bit Alhlon molpro 2002.6 mpp builds. It runs fine in dual proc when running interactivly submitting strait from the command line. However, when submitting through a batch system (OpenPBS) then I get the following output:
Nolocal= 1 Parlib= 0 Local machine n06.priv0.unt.edu not in node list! What I assume is different is the tty control from the queuing system has now lead molpro to try to look for distributed memory and other nodes, which we only want it to run a local 2proc SMP-type job. If the "Nolocal=1" is a boolean type (true/false) switch, can it be turned off, and how? Or is there any other type of environment variable that I'm not aware of that needs to be set to fix this problem? Also, this system came prebuild with quite a bit of mpi and pvm type of libraries intended for distributed memory. Is is possible that they share something in common with molpro that might foul up running 2proc SMP-type jobs on these operons locally ? Also, has there been any completely successful 64-bit compiles of Molpro2002.6 on a Opteron based cluster, and if so are there any makefiles for this? Thanks so much for the help, Scott Yockel University of North Texas Department of Chemistry New CHEM building Room 262C
