Re: Molcas78 parallel installation failed.

Posted by Victor Vysotskiy on July 03, 2013 at 10:13:33:

In Reply to: Molcas78 parallel installation failed. posted by Piotr Stuglik on July 02, 2013 at 11:53:00:

Hi Piotr,

please edit the RUNBINARY field in 'molcas.rte' file. Apparently, the path to the mpiexec (or, alternatively, mpirun) is not correct. In your case the RUNBINARY should be something like that:

RUNBINARY='/usr/local/mpi/intel/openmpi-1.4.3/bin/mpirun -np $CPUS $program'

I strongly recommend you to consider to use openmpi v1.6.

I also would recommend you to update the openmpi

: Hi,

: I was trying to build parallel version of Molcas78 and I've encountered major obstacles. Why does the firstrun (verify gives the same results) end prematurely?

: ~/molcas78/configure parameters:

: OS ........ Linux-x86_64
: COMPILER .. native
: SPEED ..... safe
: PARALLEL .. yes
: MSGPASS ... ompi
: ADRMODE ... default
: USEOMP ....
: USEDFLAGS.. -parallel ompi

: MPI_LIB=/usr/local/mpi/intel/openmpi-1.4.3/lib
: MPI_INCLUDE=/usr/local/mpi/intel/openmpi-1.4.3/include

: ~/molcas78/Test/Failed_Tests/test000.err:

: sh: line 0: eval: -n: invalid option
: eval: usage: eval [arg ...]
: sh: line 0: eval: -n: invalid option
: eval: usage: eval [arg ...]
: --- Start Module: auto at Tue Jul 2 10:24:37 2013
: >>> Export MOLCAS_PRINT=VERBOSE
: sh: line 0: eval: -n: invalid option
: eval: usage: eval [arg ...]
: sh: line 0: eval: -n: invalid option
: eval: usage: eval [arg ...]
: sh: line 0: eval: -n: invalid option
: eval: usage: eval [arg ...]
: sh: line 0: eval: -n: invalid option
: eval: usage: eval [arg ...]
: sh: line 0: eval: -n: invalid option
: eval: usage: eval [arg ...]
: --- Start Module: gateway at Tue Jul 2 10:24:37 2013
: /usr/bin/time: invalid option -- n
: Usage: /usr/bin/time [-apvV] [-f format] [-o file] [--append] [--verbose]
: [--portability] [--format=format] [--output=file] [--version]
: [--help] command [arg...]
: --- Stop Module: gateway at Tue Jul 2 10:24:37 2013 /rc= _JOB_KILLED_ ---
: --- Stop Module: auto at Tue Jul 2 10:24:37 2013 /rc= _JOB_KILLED_ ---

: Regards,

: Piotr

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Re: Molcas78 parallel installation failed. Piotr Stuglik 11:14:15 7/03/13 (1)
- Re: Molcas78 parallel installation failed. Victor Vysotskiy 10:05:47 7/04/13 (0)

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Comments:
: Hi Piotr, : please edit the RUNBINARY field in 'molcas.rte' file. Apparently, the path to the mpiexec (or, alternatively, mpirun) is not correct. In your case the RUNBINARY should be something like that: : RUNBINARY='/usr/local/mpi/intel/openmpi-1.4.3/bin/mpirun -np $CPUS $program' : I strongly recommend you to consider to use openmpi v1.6. : : I also would recommend you to update the openmpi : : Hi, : : I was trying to build parallel version of Molcas78 and I've encountered major obstacles. Why does the firstrun (verify gives the same results) end prematurely? : : ~/molcas78/configure parameters: : : OS ........ Linux-x86_64 : : COMPILER .. native : : SPEED ..... safe : : PARALLEL .. yes : : MSGPASS ... ompi : : ADRMODE ... default : : USEOMP .... : : USEDFLAGS.. -parallel ompi : : MPI_LIB=/usr/local/mpi/intel/openmpi-1.4.3/lib : : MPI_INCLUDE=/usr/local/mpi/intel/openmpi-1.4.3/include : : ~/molcas78/Test/Failed_Tests/test000.err: : : sh: line 0: eval: -n: invalid option : : eval: usage: eval [arg ...] : : sh: line 0: eval: -n: invalid option : : eval: usage: eval [arg ...] : : --- Start Module: auto at Tue Jul 2 10:24:37 2013 : : >>> Export MOLCAS_PRINT=VERBOSE : : sh: line 0: eval: -n: invalid option : : eval: usage: eval [arg ...] : : sh: line 0: eval: -n: invalid option : : eval: usage: eval [arg ...] : : sh: line 0: eval: -n: invalid option : : eval: usage: eval [arg ...] : : sh: line 0: eval: -n: invalid option : : eval: usage: eval [arg ...] : : sh: line 0: eval: -n: invalid option : : eval: usage: eval [arg ...] : : --- Start Module: gateway at Tue Jul 2 10:24:37 2013 : : /usr/bin/time: invalid option -- n : : Usage: /usr/bin/time [-apvV] [-f format] [-o file] [--append] [--verbose] : : [--portability] [--format=format] [--output=file] [--version] : : [--help] command [arg...] : : --- Stop Module: gateway at Tue Jul 2 10:24:37 2013 /rc= _JOB_KILLED_ --- : : --- Stop Module: auto at Tue Jul 2 10:24:37 2013 /rc= _JOB_KILLED_ --- : : Regards, : : Piotr

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