Having another go at QuChem. Last time they all aborted after a few seconds. They're running now but I have a wee problem!
Despite running at 100% I can only get 7 running at a time. If it was 8 I could understand that it was looking at 8 cores even though I've got 'hyper-threading' on. If I allow another project (say ODLK1) they take up the slack of the other 9 threads.
Don't think there's a problem with memory as I'm showing 7.7GB used, so there's 8.3GB available. CPU usage is currently between 35% and 40% - only got QuChem running now. CPU temp @ 61 degs which is as expected on this PC.
Windows Ryzen 7 1700
One thing I have noticed is that I'm not specifically running VBox as a separate app. Task manager does show 19 instances of 'VBox headless.exe running along with 'Virtualbox global interface' and virtualbox interface' so I assume it's just running in the background but why 19?
In the QuChem library there is a file called 'nwchem_vm_job_0.6.xml' which in edit gives...
Code: Select all
<vbox_job>
<memory_size_mb>1900</memory_size_mb>
<os_name>Linux_64</os_name>
<enable_shared_directory/>
</vbox_job>
Mike