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
