Building NWChem on cray failed


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Forum Vet
11:00:32 AM PST - Wed, Dec 10th 2014
Sarah
I have just update the NWChem compiling section for Cray to fix two problems
http://nwchemgit.github.io/index.php/Compiling_NWChem#How-to:_Cray_platforms

1) you need to have the dmapp module load prior to compile the code

% module load dmapp

2) the correct compilation command is

% make FC=ftn GA_DIR=ga-cray

In other words, setting the env. variable GA_DIR=ga-cray is not enough