NX-columbus interface problems

[Mariana Guedes Mariana]

Hello!

I'm trying to run an MRCISD trajectory calculation and in the columbus.par file I've set a memory of 8000 MB, but in the temporary directory (TEMP) the columbus.par file remains with the default memory of 1600 MB. The runls file also shows that the calculation is running with 1600 MB, even though the memory is set to 8000 MB. It seems that the program can't read the memory defined by the user in the columbus.par file, instead it uses the default memory.

Has anyone ever had a problem like this with the NX-Columbus interface?

I'd also like to know if it's possible to use the NX Columbus interface in parallel.

Thanks if anyone can help

[ffel...@gmail.com]

Hi, it's possible to run things in parallel and people have done that. There is no support via input file, but it is probably easier to adapt the appropriate scripts.

Same for the memory specification: You can just change the appropriate runc call.

-Felix

[prabhash mahata]

Hi  Mariana Guedes Mariana,

As far as I used, 

The memory specification can be changed according when you are calling the the program.

Suppose your case, You can try with

$NX/initcond.pl -m 8000 -nproc  2  > initcond.log . Nproc you can change accordingly. Make sure put the" mem=8000 " keyword in control.run in COLUMBUS  input as weel columbus.par.

For details go through $NX/run-col.pl  .   

Prabhash