[molpro-user] SOS: URGENT HELP PLEASE!!!!!!!!

[Sherin Alfalah]

Dear Andy, 
Thanks a lot for your email and for your kind advice. 
It seems that it was permissions problem, when I changed the permissions on the 
scratch directory to 0777, such error messages disappeared. 

Also, Many thanks for the link about the memory specifications. But one point I 
am wondering about, how can I know the memory needed for each process so as to 
estimate the needed memory for some job? 

Thanks a lot
Sherin Alfalah




________________________________
From: Andy May <MayAJ1 at cardiff.ac.uk>
To: Shireen Falah <shireen.alfalah at yahoo.com>
Cc: molpro-user at molpro.net
Sent: Tue, March 29, 2011 9:07:35 PM
Subject: Re: [molpro-user] SOS: URGENT HELP PLEASE!!!!!!!!

Sherin,

1. Without the contents of the include files it is impossible to exactly 
replicate what you are trying to do.

2. 2000,m is roughly 16Gb of memory is this correct for the system, see:

http://www.molpro.net/pipermail/molpro-user/2010-April/003723.html

for details on memory specification.

3. You are using patch level 1, please install the highest patch level 
version.

4. It appears (without being able to see the other included files) the 
job crashes here:

  multi
  START,2140.2;

This would occur if /scratch/sherin/molpro/test/test.wf did not exist, 
does it? Certainly some file does not exist according to your output:

Last System Error Message from Task 0:: Inappropriate ioctl for device
Last System Error Message from Task 1:: No such file or directory

5. You mention installing a more recent Global Arrays, but this makes 
absolutely no sense since you are using a binary version of the code.

Please can you try the above and consult the manual and examples to 
check your input is correct.

Best wishes,

Andy

On 29/03/11 16:15, Shireen Falah wrote:
> Dear Molpro people,
> I have posted this email few days ago but I did got any reply.
> I *desperately *need to run my jobs and all my research is postponed and
> I cannot figure away to make this molpro version works.
> Is it a bug or what?
> I wonder why one should pay for a license if it does not work for him?
> I need to use this version because I have large active space and the
> 2008 version fails here!!!!
> *I am deeply needing any help or hints to save my work and have my jobs
> running?!*
> Looking forward for any help, please!!!!!!
> Best regards
> Sherin Alfalah
>
> ----- Forwarded Message ----
> *From:* Shireen Falah <shireen.alfalah at yahoo.com>
> *To:* molpro-user at molpro.net
> *Sent:* Sun, March 27, 2011 2:16:37 PM
> *Subject:* Fw: molpro jobs keeps crashing!!!!
>
> Dear Molpro users,
> As an addition to my previous email (molpro jobs keeps crashing!), I am
> attaching the batch job file which contains some lines saying:
>
> Last System Error Message from Task 0:: Inappropriate ioctl for device
> Last System Error Message from Task 1:: No such file or directory
> 0:Segmentation Violation error, status=: 11
> (rank:0 hostname:XXXXXXXXXXXXXpid:4179):ARMCI DASSERT fail.
> src/signaltrap.c:SigSegvHandler():312 cond:0
> 0: ARMCI aborting 11 (0xb).
> 1:Segmentation Violation error, status=: 11
> (rank:1 hostname:XXXXXXXXXXXXXpid:4184):ARMCI DASSERT fail.
> src/signaltrap.c:SigSegvHandler():312 cond:0
> 0: ARMCI aborting 11 (0xb).
> 1: ARMCI aborting 11 (0xb).
> system error message: Invalid argument
> 1: ARMCI aborting 11 (0xb).
> system error message: Invalid argument
>
> I have tried to install MOLPRO batch level 13 and also I have installed
> the latest global arrays version but my problem is not solved yet!!!
> Jobs that used to work before, does not work now!!!
> Any help would be highly appreciated!
> Best regards
> Sherin Alfalah
>
> ----- Forwarded Message ----
> *From:* Shireen Falah <shireen.alfalah at yahoo.com>
> *To:* molpro-user at molpro.net
> *Sent:* Sat, March 26, 2011 5:49:32 PM
> *Subject:* molpro jobs keeps crashing!!!!
>
> Dear Molpro users:
> I have a continuouslly crashign job because of memory setting!
> The scratch direcotory where my job is running is almost empty, so there
> is enough space on the directory where the calculations are running.
> I have parrallel molporo 2010, patch level 1.
> I have installed the pre-compiled version.
> I run molpro using the command line:
> /usr/local/bin/molpro -d $workdir/molpro/$1 -n 2 $1.input
> and somtimes I try:
> /usr/local/bin/molpro -d $workdir/molpro/$1 $1.input
> but nothing work.
> A sample input and output files are attached to this email.
> I do not know how to have my files runnign and I do not know what is the
> problem!
> Thanks in advance
> Best regards
> Sherin Alfalah
>
>
>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user
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