running on ramdisk?
Richard Christie
richard at pro3.chem.pitt.edu
Sat Jul 26 18:06:53 BST 2003
Hello Molpro-users,
I'm trying to run many small calculations in as short a time as possible.
For a HF calculation, I am writing all integrals to disk, rather than
using the direct implementation. However, when I try to run such a
calculation, I get the following timings:
PROGRAMS * TOTAL HF-SCF INT
CPU TIMES * 10.01 3.04 6.89
REAL TIME * 122.40 SEC
DISK USED * 305.25 MB
What causes the difference in time between the CPU time and the REAL
time? An I/O bottleneck? The timing for the writing of integrals to disk
is:
PROGRAMS * TOTAL INT
CPU TIMES * 6.97 6.89
REAL TIME * 91.87 SEC
DISK USED * 305.25 MB
Is there any way I can minimize the (REAL - CPU) time difference? I've
tried writing to ramdisk instead, but this doesn't improve upon anything.
thanks,
Richard Christie
More information about the Molpro-user
mailing list