[molpro-user] Regarding Molpro 2008.1 execution

[A. Saieswari]

Dear Molpro users,

This is regarding executing Molpro 2008.1 in amd64 bit system, 
whose details are give below (The error which I received during execution and 
some suggestions for that). I received one more suggestion regarding this, 
which actually worked in my case.
Hereby I paste the suggestion for the benefit of others.

*********************************************************************
> Dear Dr. A. Saieswari,
>
> I experienced your exact problem while helping one of our customers
> with Molpro.  I am not subscribed to the e-mail list, but please
> post this solution to the e-mail list if it works.
>
> It turns out Molpro's error checking is a little lacking.  If your
> license/token file is not present, Molpro will print the ioctl
> errors and then exit.  The token file can be downloaded from the
> licensee section of the webpage and should be installed in ~/.molpro/token
>
> Best,
> Eliot
>
> --
> Eliot Eshelman, Technical Account Manager
> Microway, Inc.
> 12 Richards Road, Plymouth, MA 02360
> (508) 732-5534
> eliot at microway.com
> http://www.microway.com 
**************************************************************************

Regards
sai


On Fri, 10 Oct 2008 10:13:14 +0100, Peter Knowles wrote
> 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


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)