[Columbus] Installing Columbus with OpenMolcas

Hans Lischka hans.lischka at univie.ac.at
Mon Jun 6 14:03:40 EDT 2022


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Hi Zihan,

Here is my interpretation of the problem:
The file libma.a is missing in the loading process (should be in 
/zpengmei/columbus/Columbus/libma.a). This is GA library. You should 
find this file (and two others, like libga.a and a third one) in the 
libs directory of the GA installation. Copy them to the main Columbus 
directory

Best regards, Hans

On 6/5/2022 9:35 PM, Zihan Pengmei via Columbus wrote:
> 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: 
> ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍ ‍
> 
> 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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