Solntsev Pasha
solntsev@univ.kiev.ua
>> --------------------------------------------------
>> AMES LABORATORY DETERMINANTAL FULL CI
>> PROGRAM WRITTEN BY JOE IVANIC AND KLAUS RUEDENBERG
>> --------------------------------------------------
>> THE NUMBER OF DETERMINANTS HAVING SPACE SYMMETRY A
>> IN POINT GROUP C2 WITH SZ= 0.0 IS 82820900
>> THE DETERMINANT FULL CI REQUIRES 1822685203 WORDS
>>***** ERROR: MEMORY REQUEST EXCEEDS MAXIMUM.
>> 1822696229 WORDS REQUIRED 100000000 AVAILABLE.
>Note this is the memory per core, not the memory in aggregate.
>Current builds of the forthcoming Firefly version 8.0.0 include
>more advanced CI code that uses distributed rather than replicated
>memory for CI step. It has already been tested with CAS(16,16)
>and even with larger active spaces. Please contact me directly
>if you are interested in getting access to prerelease binaries.
I know that. From this massage i need ~14Gb memory. If i use 24 CPU(1Gb/core) it is not a problem....should be. But it does. From one point of view, mwords defines memory per core, but from another i need very big value (more then 1000, i checked).
I tried different numbers, like 40 ... 60 ... I didn't have any problems with CAS(14,14). Is it limitation of current version of Firefly?
Thank you very much again for your comments and suggestions.
Best, Pavel.
>>Ok, i need setup 1823 MWORDS or 13909 Mb or ~15Gb. It is ok for me, because i am going to use 24 CPU and up to 24 Gb memory (1Gb per 1 CPU). I setup mwords to 1900 and got strange behaviour of Firefly:
>> EXECUTION OF FIREFLY TERMINATED ABNORMALLY AT 10:32:21 LT 16-NOV-2010
>Sure this is because Firefly cannot allocate 1900 MWords per core.
>Nor it even tried to do that as it is impossible for 32-bit program.
>Regards,
>Alex Granovsky
>