[molpro-user] 回复： errors in binary Molpro2010

[Andy May]

Bing,

I think this is due to a bug in your OS regarding binary incompatibility:

https://bugzilla.redhat.com/show_bug.cgi?id=597578

Since you appear to have a source code licence, I would strongly 
recommend to build Molpro from source, which will likely give you better 
performance and avoid such problems.

Best wishes,

Andy

On 25/12/12 00:38, 冰 闫 wrote:
> Andy,
>        thanks for your reply.
> Here is the information of my linux:
> cat /proc/version
> Linux version 2.6.32-279.el6.x86_64
> (mockbuild at x86-008.build.bos.redhat.com) (gcc version 4.4.6 20120305
> (Red Hat 4.4.6-4) (GCC) ) #1 SMP Wed Jun 13 18:24:36 EDT 2012
>
> lsb_release -a
> LSB Version:
> :core-4.0-amd64:core-4.0-noarch:graphics-4.0-amd64:graphics-4.0-noarch:printing-4.0-amd64:printing-4.0-noarch
> Distributor ID: RedHatEnterpriseServer
> Description:    Red Hat Enterprise Linux Server release 6.3 (Santiago)
> Release:        6.3
> Codename:       Santiago
>
> Hope to help solving my problem.
>
>              Best wishes
>
>               Bing
>
>
> ------------------------------------------------------------------------
> *发件人：* Andy May <MayAJ1 at cardiff.ac.uk>
> *收件人：* 冰 闫 <jluyanbing at yahoo.cn>
> *抄送：* "molpro-user at molpro.net" <molpro-user at molpro.net>
> *发送日期：* 2012年12月24日, 星期一, 7:35 下午
> *主题:* Re: [molpro-user] errors in binary Molpro2010
>
> 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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