Running NWchem on CentOs


Click here for full thread
  • Guest -
Eric,

I gather it compiled correctly but does not run.

1. What is the hardware (# of procs, network)
2. What compilers
3. How did you configure the NWChem compilation (environment variables, etc.)

Bert

Quote:Ekauf Feb 16th 8:45 pm
I did install nwchem on cent os 5.x. It extracted all of the folders and the configuration seems to be correct. I have followed the instructions and can't get it to run.

I did install this on a cluster in a shared folder.

Any help would be appreciated.

Thanks,

Eric