[Columbus] Installing Columbus with OpenMolcas

Zihan Pengmei zpengmei at uchicago.edu
Sun Jun 5 22:35:30 EDT 2022


Dear Columbus developers,

                I am trying to compile a Columbus 7.0.2 interfacing with openmolcas and sharc on the cluster(with intel compiler, mkl2020, intelmpi/2018.4), but having the following complaint:


e_2020_update1/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread -lm -ldl /zpengmei/columbus/Columbus/libma.a

ifort: error #10236: File not found:  '/zpengmei/columbus/Columbus/libma.a'

gmake: *** [/zpengmei/columbus/Columbus/makefile:345: molcas.a] Error 1




                Just to clarify, I did git clone and compiled the openmolcas for columbus 7 from gitlab, one parallel version with intelmpi, mkl , intel compiler and ga 5.8.2, and another serial version with intel compiler, mkl.
In install.config, I tried MOLCAS/PMOLCAS both keywords with corresponding versions, but neither of them worked out and came up with this warning when installing standard.

                I checked openmolcas/libs and ga/libs and I didn’t find libma.a anywhere. Any help would be very useful!

Thanks,
Zihan Pengmei
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