[CPMD-list] how to speed up on amd64 machines

[Bin Pan]

Hi CPMD users,

I am wondering how to speed up CPMD runs on amd64 cluster using MPI 
parallelization.
Previously I compiled CPMD using pgi compiler with acml. However, I 
found it is very slow.
The flags I used are:

CPPFLAGS = -P -C -traditional -D__Linux -D__PGI -DFFT_DEFAULT 
-DPOINTER8 -D__pgf90 -DPARALLEL -DMYRINET
CC = gcc -O2 -Wall -m64
FC = pgf90 -c -fastsse -tp k8-64
LD = pgf90 -fastsse -tp k8-64

Can you please let me know how to improve the performance?
Thanks a lot!

Best regards,
Bin.