[molpro-user] "gmainv1 failure" error

[Manhui Wang]

Hi Ion,
    I think this is the 32-bit machine/OS limitation. General
information can be found on the Internet (like
http://kerneltrap.org/node/2450,
http://www.dansdata.com/askdan00015.htm, etc). So the solutions might  be:
(1) Try reducing the memory and running the job, see whether it works.
(2) On a 64-bit machine(installed with 64-bit OS), run the 64-bit
molpro. This should resolve the memory limit problem at root.

Best wishes,
Manhui

Chiorescu Ion wrote:
> Dear Molpro community,
> 
>       
> 
>        I am using the trial version of molpro to perform CCSD(T)
> computations on some Ruthenium complexes. I have a problem running
> molpro with large amount of memory set 400 Mw (as required for CCSD(T)
> calculations). Although I have 4 Gb of RAM on my computer, it seems that
> only 2 Gb might be used by the program. There is obviously a system
> problem, but I am not able to find an adequate solution for it. Browsing
> the errors reported on the internet, I found the same problem reported
> previously (for example:
> http://www.ccl.net/chemistry/resources/messages/2005/09/03.006-dir/index.html
> ) and I think you could have a solution for me. The original error is:
> 
>       
> 
>        ****
> 
>        /opt/molpro/bin/molprop_2008_1_Linux_i686_i4.exe, len=48
> 
>           -master, len=7
> 
>        localhost.localdomain, len=24
> 
>             56736, len=5
> 
>                 1, len=1
> 
>                 1, len=1
> 
>                 0, len=1
> 
>                 0, len=1
> 
>        Failure in attempting memory allocation of 400230002 words (3053
> Mbyte)
> 
>        This error has been generated by the operating system,
> 
>        and may be the result of insufficient system memory or paging space
> 
>        In order to avoid the problem in the MOLPRO context,
> 
>        consider also reducing the requested memory through
> 
>        the MEMORY input command, or the -m command line option
> 
>        gmainv1 failure to allocate 400230002
> 
>       
> 
>         GLOBAL ERROR fehler on processor  
> 0                                        
> 
>        tmp =
> /home/chioresc/pdir//opt/molpro/bin/molprop_2008_1_Linux_i686_i4.exe.p
> 
>         Creating: host=localhost.localdomain, user=chioresc,
> 
>                   file=/opt/molpro/bin/molprop_2008_1_Linux_i686_i4.exe,
> port=56736
> 
>        ****
> 
>       
> 
>        I am looking forward to provide any further data you might need,
> 
>        Best regards,
> 
>        Ion Chiorescu
> 
>  
> 
> 
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> 
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-- 
-----------
Manhui  Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
Telephone: +44 (0)29208 76637