MayAJ1 at cardiff.ac.uk
Tue Mar 29 09:27:41 BST 2011
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:
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.
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,
> Molpro-user mailing list
> Molpro-user at molpro.net
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