SRP potential with fix rigid

I saw a previous solution to segment faults problem when SRP and fix rigid are combined.
Is the stable version (March 31 2017) enough to solve this problem?

Thanks
Decai

Hello LAMMPS users,

I recently started using the srp potential (from USER-MISC package) in my
simulations. Anytime I use the srp potential in combination with fix rigid
however I get segmentation faults.

this is a rather unusual combination.

I was wondering has anyone ran into that problem? I am using the latest
stable version of lammps (Nov 17 2016).

please try the current patch level version of LAMMPS (17 Jan 2017),
which contains fixes for bugs in the srp model, that might cause
segfaults.
if it still segfaults, please provide a small(!!) and complete input
deck that reproduces the segfault for further debugging.

thanks,
axel.

I saw a previous solution to segment faults problem when SRP and fix
rigid are combined.
Is the stable version (March 31 2017) enough to solve this problem?

​you can easily answer this yourself by following the advice given to john.​

​axel.​

Axel, Thanks for your reply.
What I found out is that I can run the job successfully (with both older version 2016 and the current 2017 version) when I run it interactively on my head-node.
But the job fails when I submit it as a batch job (segmentation fault).
Do you have any idea on this?

Decai Yu

Axel, Thanks for your reply.
What I found out is that I can run the job successfully (with both older
version 2016 and the current 2017 version) when I run it interactively on
my head-node.
But the job fails when I submit it as a batch job (segmentation fault).
Do you have any idea on this?

​no, since i do not have a sixth sense and my crystal ball is still broken.​
​...and particularly since you are ignoring the second part of my advice.

axel.​

I found that the error is caused by the fact that I used too many cores (20) for my system.
I have some bulky molecules (which I made rigid). If I use four or six cores, there is no problem running it.

Decai