[molpro-user] errors in binary Molpro2010

[Andy May]

Bing,

Which distribution and version of Linux are you using?

Best wishes,

Andy

On 24/12/12 07:17, 冰 闫 wrote:
>
> Hi,
>
>      I run a test job after installed binary Molpro (Version 2010.1 for
>
> architecture Linux/x86_64, standard code, mpp (Patchlevel 24)),
>
> some errors occured.
>
>     Any  help is appreciated? Thanks in advance.
>
>        Bing
>
>
>
> ___- error message using molpro -v -n 2 -d  tmpdir ----
>
>   # PARALLEL mode
>   nodelist=2
>   first   =2
>   second  =
>   third   =
>   HOSTFILE_FORMAT: $user $hostname 1 $exe $working_dir
>
> XX XXX 1 /soft/molpro/lib/bin/molpro.exe /home/lr/test
> XX XXX 1 /soft/molpro/lib/bin/molpro.exe /home/lr/test
>
>   export LD_LIBRARY_PATH=':'
>   export AIXTHREAD_SCOPE='s'
>   export MOLPRO_PREFIX='/soft/molpro/lib'
>   export MP_NODES='0'
>   export MP_PROCS='2'
>          MP_TASKS_PER_NODE=''
>   export MOLPRO_NOARG='1'
>   export MOLPRO_OPTIONS=' -v -d /home/lr/tmp/ test.inp'
>   export MOLPRO_OPTIONS_FILE='/tmp/molpro_options.10202'
> MPI_MAX_CLUSTER_SIZE=''
>   export PROCGRP='/tmp/procgrp.10202'
>   export RT_GRQ='ON'
>          TCGRSH=''
>          TMPDIR=''
>   export XLSMPOPTS='parthds=1'
> /soft/molpro/lib/parallel.x /soft/molpro/lib/bin/molpro.exe  -v -d
> /home/lr/tmp/ test.inp
>    0: pbegin: -master present but not other arguments 6 (0x6).
>    0: pbegin: -master present but not other arguments 6 (0x6).
> tmp = /home/lr/pdir//soft/molpro/lib/bin/molpro.exe.p
>   Creating: host=yan1, user=lr,
>             file=/soft/molpro/lib/bin/molpro.exe, port=48782
>    2: interrupt(1)
>
>
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