Error messages

[Dan K]

Hello all,

I've been running geometry optimizations successfully, but when it finishes, the following message pops up on the terminal:

[0] ARMCI Warning: Freed 1 leaked allocations

Is this something to be concerned about? 

Also, is there a resource in general for the meaning of error messages in NWChem? 

[Edoardo Aprà]

Could you provide more details on how NWChem was installed?

For example, are you using the Debian or Ubuntu Linux distribution?

Did you install the NWChem package proivided from the Linux distribution you are using?

[Dan K]

Thanks for the speedy response.

I'm using Ubuntu 20.04 (Focal Fossa) on Windows Subsystem for Linux.

I installed nwchem using:

sudo apt install nwchem

[jeff.science]

That warning is from https://github.com/pmodels/armci-mpi/blob/master/src/init_finalize.c#L559 and I see it in every NWChem output file when ARMCI-MPI is used.  It is innocuous and can be ignored.  We added it to ARMCI-MPI to help developers debug GA programs.  In theory, we could track down the origin and fix it in NWChem, but I don't think it's a worth doing.

[Dan K]

Ah, good to know, thanks. Yeah I guess if it doesn't stop the program from working, who really cares?