[molpro-user] error in running

[Nick Wilson]

This is probably due to the setting for the location of temporary files.

The directory that molpro is trying to use will be shown near the top of
the input at "Primary working directories".

This will be determined by the -d setting in /usr/local/bin/molpro or
/usr/local/bin/molprop_2006_1_i4_p3_tcgmsg

You should check that this setting is correct, that you have write
permission for this directory and that it has enough free space.

Best wishes,
Nick Wilson

yusuke at amo.t.u-tokyo.ac.jp wrote:
>  Dear MOLPRO-users,
> 
>  I am wondering because the molpro program stops when I submit the file 
> which could be caliculated in trial use.
> 
> 
>  The input file is ;
> 
> ***,Sr
>  gprint,orbital,basis
>   
>  geometry={x,y,z;Sr}
>  basis=LANL2DZ
>   
>  set,spin=2
>   
>  {mcscf;occ,2,1,1,0,2;wf,10,5,2;save,2141.2}
>   
>   
>  ---
> 
>  and output file shows error messages below;
> 
>  ERROR WRITING            2 WORDS AT OFFSET       4096. TO FILE 1  IMPLEMENTATION=df   FILE HANDLE=    -1  IERR=    -1
>  ? Error
>  ? I/O error
>  ? The problem occurs in writew
> Bad seek in iow_direct_write; fd=-1, p=4096
> 
>  GA ERROR fehler on processor   0                                         
> tmp = /home/vlinux/pdir//usr/local/lib/molpro-mpp-Linux-i686-i4-2006.1/molprop_2006_1_i4_p3_tcgmsg.exe.p
>  Creating: host=localhost.localdomain, user=vlinux,
>            file=/usr/local/lib/molpro-mpp-Linux-i686-i4-2006.1/molprop_2006_1_i4_p3_tcgmsg.exe, port=1244
> 
> ------------
> 
>  What causes it? Please tell me what to do to solve this problem.
>  Thank you in advance.
> 
> 
> -------------------------------------------
>  Yusuke Nakagawa
>  Department of Applied Physics,School of Engineering, The University of Tokyo
>  Hongo 7-3-1, Bunkyo-ku, Tokyo 113-8656, JAPAN
>  phone:+81 (0)3-5841-6847
> 
> 
> 
> 
>