Dalton forum

So, first of all thanks for considering my problem. And yes: my question is indeed "Why is there no improvement in throughput when apparently the library matrix multiply should be running eight times faster?" I wouldn't care too much if just most of the code would be serial and not much can be gaine...

I would like to add to this thread. I just installed DALTON2015 myself and was confronted with similar performance considerations and finally decided to use a serial compilation with MKL=parallel. Now I did some tests for coupled cluster response calculations (with and without direct computation of ...