From NWChem
Viewed 197 times, With a total of 1 Posts
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Forum Regular
Threads 43
Posts 209
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| 6:38:30 PM PDT - Wed, Apr 4th 2018 |
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Compilation of NWCHEM6.8 Fails on Ubuntu17.10.2 with MPICH 3.3a2 with the following information when using "make 64_to_32"
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#include "global.fh"
1Apr 5th 1:38 am Local TimeApr 5th 1:38 am Local Time~~
Fatal Error: mafdecls.fh: ?????????
compilation terminated.
64_to_32 : no conversion necessary
make[1]: Leaving directory '/home/hp/computation/nwchem6.8/src/perfm'
make[1]: Entering directory '/home/hp/computation/nwchem6.8/src/bq'
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#include "rtdb.fh"
1Apr 5th 1:38 am Local TimeApr 5th 1:38 am Local Time~~
Fatal Error: mafdecls.fh: ?????????
compilation terminated.
/home/hp/computation/nwchem6.8/src/config/64_to_32 bq_input.F
converting bq_input.F to 32-bit integers for BLAS/LAPACK
[1] 11458
[1] Done ( $perlexe $perlscript $file )
make[1]: Leaving directory '/home/hp/computation/nwchem6.8/src/bq'
make[1]: Entering directory '/home/hp/computation/nwchem6.8/src/cons'
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- include "global.fh"
1Apr 5th 1:38 am Local TimeApr 5th 1:38 am Local Time~~
Fatal Error: mafdecls.fh: ?????????
compilation terminated.
make[2]: *** No rule to make target 'python/libprepar.a(prepar.o)', needed by '/home/hp/computation/nwchem6.8/lib/all'? ???
make[2]: Leaving directory '/home/hp/computation/nwchem6.8/src/prepar'
64_to_32 : no conversion necessary
make[1]: Leaving directory '/home/hp/computation/nwchem6.8/src/prepar'
make[1]: *** esp: ?????????? ???
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Forum Regular
Threads 43
Posts 209
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| 7:23:53 PM PDT - Fri, Apr 6th 2018 |
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I have checked the directory and found under this version of Ubuntu, the extraction of NWCHEM6.8 automatically went into two clips, which caused the strange mistakes during the compilation, and when they had been combined, the compilation of it on openmpi was successful.
I will retry mpich when I am free.
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Edited On 7:31:26 PM PDT - Fri, Apr 6th 2018 by Xiongyan21
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