Tried to run some 'Quantum Chemistry' and discovered why. . .

Message boards : Number crunching : Tried to run some 'Quantum Chemistry' and discovered why. . .
Message board moderation

To post messages, you must log in.

AuthorMessage
Profile Sid
Avatar

Send message
Joined: 15 Jan 10
Posts: 26
Credit: 335,524,408
RAC: 0
Level
Asp
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwatwatwatwatwatwat
Message 49334 - Posted: 20 Apr 2018, 11:25:18 UTC

. . . so few crunch it:

Thu 19 Apr 2018 09:15:27 PM CDT | GPUGRID | Message from server: Quantum Chemistry needs 4768.37 MB RAM but only 3496.87 MB is available for use.


Lots of boxes physically can't. . . .
ID: 49334 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote
3de64piB5uZAS6SUNt1GFDU9dRhY
Avatar

Send message
Joined: 20 Apr 15
Posts: 285
Credit: 1,102,216,607
RAC: 0
Level
Met
Scientific publications
watwatwatwatwatwat
Message 49344 - Posted: 20 Apr 2018, 15:52:53 UTC
Last modified: 20 Apr 2018, 15:53:17 UTC

Well ... so add more RAM, that is the easiest way. Alternatively you could install VMWare and allocate more virtual memory per box than is actually (physically) installed. But that makes the machine very slow and is performing contortions, if I may say so.
I would love to see HCF1 protein folding and interaction simulations to help my little boy... someday.
ID: 49344 · Rating: 0 · rate: Rate + / Rate - Report as offensive     Reply Quote

Message boards : Number crunching : Tried to run some 'Quantum Chemistry' and discovered why. . .

©2025 Universitat Pompeu Fabra