| 6:35:39 PM PDT - Wed, Apr 15th 2015 |
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Quote:Edoapra Apr 15th 11:05 pmZhanfei
After looking at the files, I can see that
you have applied the patch Tddft_grad.patch, but something went wrong in the patching operation
(presence of tddft_grad_input.F.rej).
A possible fix would be to take the patch out
Anyhow, could you please send me the output of the command
grep -i tddft_grad_defaults $NWCHEM_TOP/nwdft/lr_tddft_grad/*F*
Thanks very much for your reply
I have taken the patch out and the error has changed.
[zhanfei@localhost src]$ grep -i tddft_grad_defaults $NWCHEM_TOP/nwdft/lr_tddft_grad/*F*
grep: /nwdft/lr_tddft_grad/*F*: No such file or directory
Now the error is:
/home/zhanfei/Nwchem-6.5.revision26243-src.2014-09-10/src/tools/build/comex/../../ga-5-3/comex/src-mpi/groups.c:145: undefined reference to `ompi_mpi_group_null'
/home/zhanfei/Nwchem-6.5.revision26243-src.2014-09-10/src/tools/build/comex/../../ga-5-3/comex/src-mpi/groups.c:152: undefined reference to `ompi_mpi_comm_null'
/home/zhanfei/Nwchem-6.5/src/tools/install/lib/libarmci.a(lt1-groups.o): In function `comex_create_group_and_igroup':
/home/zhanfei/Nwchem-6.5.revision26243-src.2014-09-10/src/tools/build/comex/../../ga-5-3/comex/src-mpi/groups.c:67: undefined reference to `ompi_mpi_comm_null'
/home/zhanfei/Nwchem-6.5.revision26243-src.2014-09-10/src/tools/build/comex/../../ga-5-3/comex/src-mpi/groups.c:68: undefined reference to `ompi_mpi_group_null'
/home/zhanfei/Nwchem-6.5/src/tools/install/lib/libarmci.a(lt1-groups.o): In function `comex_group_create':
/home/zhanfei/Nwchem-6.5.revision26243-src.2014-09-10/src/tools/build/comex/../../ga-5-3/comex/src-mpi/groups.c:226: undefined reference to `ompi_mpi_comm_self'
make: *** [all] Error 1
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