Thank you so much for your prompt reply.
Actually, it appears that I have compiled Charmm successfully on the AMD Oeptron 64-bit machine.(by making modifications in the Makefile_gnu only very similar to the one which i have stated in my very first post)
Why I am not sure of this is because, I get a warning message in the gnu.log at the end which says:
make:warning: clock skew detected: your build may not be complete.
So, I am testing some jobs on the cluster so that i can compare the wait and comm time.Also, the speed has been increased tremendously (compared with the previous runs on other smaller machines) but this is true for those input files which uses spherical cutoffs. With the same cutoff if i submit the PME calculation then i get the following error:
VEHEAP> Expanding heap size by 163840 words.
p0_2392: p4_error: interrupt SIGSEGV: 11
Following the post on the forum with subject "Compilation error after increasing heap size" I have located the file heap.fcm which has the HEAPDM defined as 10240000. But i could not exactly follow what it means my -mcmodel. I am unable to locate this flag.
Kindly suggest me something on this.
Thanks in advance,
Eagerly waiting for you reply,
Last edited by mzzt; 09/30/05 01:40 PM.