From NWChem
Viewed 98 times, With a total of 2 Posts
|
|
|
Just Got Here
Threads 1
Posts 1
|
|
| 8:45:22 PM - Wed, Feb 16th 2011 |
|
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
|
|
|
|
|
|
|
| 4:59:11 PM - Mon, Feb 21st 2011 |
|
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 pmI 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 |
|
|
|
|
|
Just Got Here
Threads 0
Posts 1
|
|
| 11:25:53 AM - Fri, Feb 25th 2011 |
|
Hi,
I am new to this so this may be a basic question.
Our College just obtained a new HPC machine for several users. It is a box with has 4 CPUs and with 12 cores each CPU. My question is: in compiling the NWChem v6, should I use an MPI just to access all the cores? What about to run on 12 cores only?
Thanks,
Ed
|
|
|
AWC's:
2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC
