[Columbus] Installing Columbus with OpenMolcas

Felix Plasser F.Plasser at lboro.ac.uk
Tue Jun 7 10:17:34 EDT 2022


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Hi, I just remembered what this is. libma.a is only relevant for older 
versions of Molcas. You can deactivate libma.a by setting in install.config:

VMOLCAS 8.0

But, in any case, I will make this the default. I don't think that 
Columbus would be compatible with MOLCAS < 8 anyway ...

-Felix

On 06/06/2022 19:03, Hans Lischka via Columbus wrote:
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>
> ** Be wary of links or attachments, especially if the email is 
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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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>> Columbus at lists.osc.edu
>> https://lists.osu.edu/mailman/listinfo/columbus
>
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