Issue with compiling JDFTx in TACC Stampede and SDSC Gordon

[satish]

Hello

I followed the instructions to compile JDFTx on TACC Stampede and SDSC Gordon, which was provided in https://sourceforge.net/p/jdftx/wiki/Compiling/. But I was not able to compile it. I am unable to attach the files, so please find the related files at the link below:

https://www.dropbox.com/s/iwwfntwyjat1d1w/files.zip?dl=0

Thank you.

[Ravishankar Sundararaman]

Hi Satish,

I've updated the Stampede compiling instructions; they seem to have changed the modules considerably since I last used it!

Note that I have switched the compilation to use the GNU compilers directly rather than Intel. I had previously used intel only because that was necessary to use either MKL or FFTW. With the updated modules, it is straightfroward to use gcc with MKL as in the updated instructions.

I don't have access to SDSC Gordon, but you might be able to adapt the updated Stampede instructions to get it to work with gcc (avoid Intel compilers as far as possible).

Best,
Shankar