Lindqvist - a blog about Linux and Science. Mostly.
Pages
(Move to ...)
Home
Computational Chemistry Software
Chemistry
Wine
Kernel
Misc. Linux
OS X/Windows
whoami
▼
Showing posts with label
acml
.
Show all posts
Showing posts with label
acml
.
Show all posts
23 May 2013
430. Strange issue with NWChem, openmpi, SGE and ECCE
›
This one's a bit odd. Odd in the sense that the math libs (acml) I'm using should be suitable for the processors that I'm u...
19 May 2013
422. Set up ACML on linux
›
These are the same instructions as in post 409B. However, I've decided it's better to do the posts the unix/linux way -- have the do...
04 September 2012
226. ACML libs and nwchem -- what libs to choose to avoid 'Singularity in Pulay matrix' hang.
›
The problem: If I compile nwchem against the acml libs ( gfortran64_fma4 in acml-5-2-0-gfortran-64bit.tgz ) everything appears to go fine,...
›
Home
View web version
