PC GAMESS-related discussion club

Ivan Fedyanin
octy@xrlab.ineos.ac.ru

First of all, I use the following version: [version 7.1 (Tornado), build number 4444].
Yeah, I do know that this is a beta-release, but it's the one I can find to work with
lam-mpi 7.x.x.

DFT-code works pretty well if only one core of the processor is to be used. But as long
as I put corresponding instruction (cpu=2) in my file, describing the nodes, program
prints the following error:

FSF: fatal error no. 0x04000000 in sub PACKREAD on unit 8

My guess is that this error is concerned with integral file, which cannot be used by two
process simultaneously, but I may be mistaken. The same error message arises if I use -np
N*2 switch to mpirun wrapper (where N == number of nodes available).

Additionally, MP2 code doesn't work for me at all. I always get the following message:

Loading P2P interface library... loaded successfully (version 1.8).
Initializing P2P interface... init failed!

All nodes aren't firewalled and have unrestricted rsh access to each other.

The additional trouble may be in 64-bit OS’s installed on our PCs. But most of 32-bit
packages works fine in 32-bit subenvironment, including DFT pcgamess code.

Thanks in advance.

Ivan