2:42:56 PM PST - Tue, Jan 12th 2016 |
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Dear Edoapra
I don't why I got mpi error again, when I tried to recompile it by just using mpi (no mkl, no BLASOPT)
checking for mpi.h... yes
checking for library containing MPI_Init... no
configure: error: test for COMEX_NETWORK=MPI_TS failed
configure: error: ../../ga-5-4/comex/configure failed for comex
make[1]: *** [build/config.status] Error 1
make[1]: Leaving directory `/home/bobo/Softwares/nwchem-6.6/src/tools'
make: *** [libraries] Error 1
Actually I succeeded last time. Don't know why not work this time.
Still mpif90 -show gives
[bobo@cerberus src]$ mpif90 -show
ifort -I/opt/intel/impi/5.0.1.035/intel64/include -I/opt/intel/impi/5.0.1.035/intel64/lib -L/opt/intel/impi/5.0.1.035/intel64/lib
but there is no folder called impi in /opt/intel/
[bobo@cerberus src]$ ls /opt/intel/
ActivationTool ism licenses
If i change MPI_LOC=/opt/intel/impi/5.0.1.035/intel64, I will get
checking whether it is safe to define __EXTENSIONS__... yes
checking for C compiler vendor... gnu
configure: WARNING: /opt/intel/impi/5.0.1.035/intel64 of with_mpi not parsed
checking whether a simple C MPI program compiles... no
configure: error: in `/home/bobo/Softwares/nwchem-6.6/src/tools/build':
configure: error: could not compile simple C MPI program
See `config.log' for more details
Do you have any idea how should I do?
Thank you very much.
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