[molpro-user] Molpro 2008.1 execution problem

Peter Knowles KnowlesPJ at Cardiff.ac.uk
Fri Oct 10 10:13:14 BST 2008


Here are some things that you can try to learn more about, or perhaps  
fix, this:
1. try running the serial executable on its own, ie in your case /usr/ 
local/bin/molprop_2008_1_Linux_x86_64_i8.exe
2. check that the scratch directory is writable, or explicitly give a  
known good scratch directory on the command line:
molpro -d /tmp
Peter
On 10 Oct 2008, at 07:16, A. Saieswari wrote:

> Dear Molpro users,
> I tried installing molpro 2008.1 version ( molpro- 
> mpp-2008.1-5.Linux_amd64.sh)
> in athlon 64bit system (cpu: Athlon64 2612.036 MHz).
> The installation was successful, but when i tried to run a test job  
> (h2.com ,
> hf calculation)
> it complained me an error which is listed below.
>
> ----------------------------------------------------------------------------
> tmp = /root/pdir//usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe.p
> Creating: host=chetana.tifr.res.in, user=sai,
>           file=/usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe,  
> port=51428
> /usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe, len=49
>   -master, len=7
> chetana.tifr.res.in, len=19
>     51428, len=5
>         1, len=1
>         1, len=1
>         0, len=1
>         0, len=1
> 0:0:Taprea on processor   0:: -1
> 0:0:Taprea on processor   0:: -1
> Last System Error Message from Task 0:: Inappropriate ioctl for device
>  0: ARMCI aborting -1 (0xffffffffffffffff).
>  0: ARMCI aborting -1 (0xffffffffffffffff).
> system error message: Inappropriate ioctl for device
>  1: interrupt(1)
> WaitAll: No children or error in wait?
>
> ----------------------------------------------------------------------------
>
> Can anyone help me in this regard?
>
> Thanks in advance.
> sai
>
> Dr. A. Saieswari
> (c/o Prof. S.V.K. Kumar)
> Visiting Fellow
> Department of Nuclear and Atomic Physics
> Tata Institute of Fundamental Research
> Homi BhaBha Road
> Colaba, Mumbai 400 005
> E-Mail: saieswari_81 at yahoo.co.in
>        saieswari at mailhost.tifr.res.in
> Phone: +91-9920159706 (mobile)
>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user

--
Prof. Peter J. Knowles
School of Chemistry, Cardiff University, Main Building, Park Place,  
Cardiff CF10 3AT, UK
Telephone: +44 29208 79182 Fax: +44 2920874030 Email KnowlesPJ at Cardiff.ac.uk
WWW http://www.cardiff.ac.uk/chemy/contactsandpeople/academicstaff/knowles.html





More information about the Molpro-user mailing list