How to use all resources?

Author	Message
[VENETO] boboviz Send message Joined: 13 Sep 19 Posts: 69 Credit: 399,347 RAC: 0	Message 404 - Posted: 8 Jan 2020, 19:45:12 UTC I don't know if this argument was solved in this forum..........but this is my problem: I have an "old" 24 Xeon cpu (with 20 gb of ram). I set up to use 100% of cpu (and it runs correctly with all projects), but with Quchem i have this situation: Only 6 wus run (25% of cpu usage) Some wus have "waiting for memory" message, but i have over 10gb of free ram. Waiting for a native windows app, i'd like to try to solve this situation. ID: 404 · Rating: 0 · rate: / Reply Quote

Aurum Send message Joined: 14 Dec 19 Posts: 68 Credit: 45,744,261 RAC: 0	Message 405 - Posted: 8 Jan 2020, 21:04:16 UTC - in response to Message 404. Now that they added the Max # jobs & Max # CPUs options we need to know what you selected. Before this, or I believe if you select Max # CPUs = No Limit the WUs will select some number of CPUs. You may have a situation where QCP adds up to 24 cores, i.e. 4 CPUs per WU. I prefer to set it to one. ID: 405 · Rating: 0 · rate: / Reply Quote

[VENETO] boboviz Send message Joined: 13 Sep 19 Posts: 69 Credit: 399,347 RAC: 0	Message 407 - Posted: 8 Jan 2020, 22:06:12 UTC - in response to Message 405. Now that they added the Max # jobs & Max # CPUs options we need to know what you selected. I don't configure app_config.xml (cause i don't like), but if it is necessary.... Any suggestion? ID: 407 · Rating: 0 · rate: / Reply Quote

Zalster Send message Joined: 16 Dec 19 Posts: 25 Credit: 11,938,843 RAC: 0	Message 408 - Posted: 9 Jan 2020, 3:05:09 UTC - in response to Message 405. Last modified: 9 Jan 2020, 3:13:10 UTC Now that they added the Max # jobs & Max # CPUs options we need to know what you selected. Before this, or I believe if you select Max # CPUs = No Limit the WUs will select some number of CPUs. You may have a situation where QCP adds up to 24 cores, i.e. 4 CPUs per WU. I prefer to set it to one. Aurum, where did they add these options at? Is it in the preferences? Been gone for a bit and missed this announcement. Edit... Nevermind, I see where they added it. Need to see how it affects my machine. Thanks for the heads up. ID: 408 · Rating: 0 · rate: / Reply Quote

Aurum Send message Joined: 14 Dec 19 Posts: 68 Credit: 45,744,261 RAC: 0	Message 410 - Posted: 9 Jan 2020, 17:03:03 UTC Yes, QCP added these to your Preferences. We had been talking about how to do it using app_config files and the next day it was there in Prefs. I still have no idea how to unambiguously test for how many CPUs is best so I just use Max # CPUs = 1. ID: 410 · Rating: 0 · rate: / Reply Quote

[VENETO] boboviz Send message Joined: 13 Sep 19 Posts: 69 Credit: 399,347 RAC: 0	Message 411 - Posted: 9 Jan 2020, 17:22:17 UTC - in response to Message 410. Last modified: 9 Jan 2020, 17:22:55 UTC Yes, QCP added these to your Preferences. Ok, i have "no limits" in "max number of tasks" and "no limits" in "max number of cpu". Have i to set cpu=1?? ID: 411 · Rating: 0 · rate: / Reply Quote

Aurum Send message Joined: 14 Dec 19 Posts: 68 Credit: 45,744,261 RAC: 0	Message 417 - Posted: 12 Jan 2020, 13:36:00 UTC - in response to Message 411. I recommend setting Max # CPUs = 1. ID: 417 · Rating: 0 · rate: / Reply Quote

Zalster Send message Joined: 16 Dec 19 Posts: 25 Credit: 11,938,843 RAC: 0	Message 419 - Posted: 12 Jan 2020, 20:01:12 UTC - in response to Message 417. I recommend setting Max # CPUs = 1. Have you noticed an increase in your validation error rate if you use all threads (HyperThreads) vs only using actual cores? I've noticed an increase in validation errors recently since I started to crunch on the HT verus when I was only using the actual cores. However, I don't know if that is because of the switch I made vs the recent announcement of larger molecules. Zalster ID: 419 · Rating: 0 · rate: / Reply Quote