| 7:53:42 AM PDT - Tue, Sep 18th 2018 |
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I have been trying to build NWChem 6.8 on OLCF Titan at ORNL following the instructions at
http://nwchemgit.github.io/index.php/Compiling_NWChem#Gemini.2C_e.g._XE6.2C_XK7?
but I keep getting the error below:
checking whether Fortran hidden string length convention is after args...
configure: error: f2c string convention is neither after args nor after string
make[1]: *** [build/config.status] Error 1
make[1]: Leaving directory `/autofs/nccs-svm1_home1/shirley/nwchem/src/tools'
make: *** [libraries] Error 1
I asked for help from OLCF support and got a reply that they are also unable to do the compile and the recipe they used previously to compile NWChem 6.6, which they have installed as a module, no longer works.
Please let us know what modules we should use and what environment variables we should set to compile NWChem 6.8 successfully on Titan. Please let me know if you need more information about my environment, compilers used, modules loaded, etc. We do want to use the GPUs.
Thanks,
Shirley Moore
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