[molpro-user] help

[Andy May]

Rana,

Your previous input with 0.23m was not enough memory, so increasing is 
required for the job to run. However, this is a different problem, 
probably related to:

file,2,/scratch/rana/molpro/grid/WF/R_t.wf

I reproduce the problem if I run with this input since /scratch does not 
exist on my system, and / is not writeable. Please try:

mkdir -p /scratch/rana/molpro/grid/WF

if this fails you need to choose a different location of fix the 
permissions. Check the directory allows you to write the wavefunction 
file, and finally check a corrupt or non-read/write file does not 
already exist there.

Best wishes,

Andy

On 29/03/11 08:03, Rana Zahdeh wrote:
> Dear Molpro users,
>
> Thanks a lot for your previuos help. Will you please explain to me how
> should we determine the memory needed for any system?
>
> I was recommended to do the calculation for my input file with
> memory,23,m and it worked with one of your Molpro users at this memory
> but when I ran it I still have the following error massage:
>
> Variable memory set to 23000000 words, buffer space 230000 words
>
>
> ERROR WRITING 4 WORDS AT OFFSET 4096. TO FILE 2 IMPLEMENTATION=df FILE
> HANDLE= -1 IERR= -1
> ? Error
> ? I/O error
> ? The problem occurs in writew
> GLOBAL ERROR fehler on processor 0
>
> Will you please help me to know why it didn't work with me but it worked
> with one of your users?
>
> Note, My input file is attatched with this email.
>
> Thanks in advance.
>
> Kindest greetings,
> Rana.
>
>
>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user