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Panwang Zhou
pwzhou@gmail.com

Thanks again for your suggestions and comments.
Now my job has finished with "MWORDS=480".
See following for my detail reply. Thanks.

On Wed Jan 9 '13 3:10am, Alex Granovsky wrote
---------------------------------------------
>Dear Panwang,

>>First I reduce the MXBASE from the default 300 to 90, the "ROUTINE MQCACI" passed, however, it exited again at "ROUTINE MQLMB2" with the following information:

>>********** ROUTINE MQLMB2 (   1) ***************************************
>> ***** ERROR: MEMORY REQUEST EXCEEDS MAXIMUM.
>>   494278798 WORDS REQUIRED    400000000 AVAILABLE.

>The MXBASE keyword only affects MQCACI routine.
>
>
>>It is still the memory problem and I can't set to MWORDS=500 to satisfy the required memory as the fifefly cannot allocate so much memory.

>>Then I try to redude the MXBASE to 70, and the required memory by "ROUTINE MQLMB2" is still 494278798 WORDS. Thus, the reduce of MXBASE could not reduce the memory request of MQLMB2. So, is there an option to reduce the memory request of MQLMB2?

>There are at least several options that may help.

>First, write a simple shell script - a wrapper for Firefly
>that could be e.g. as follows:

>

#!/bin/bash
ulimit -s 2048 
/home/gran/firefly/ff8.ex "$@"

>This should allow you to use more memory with Firefly
>(up to ca. 490-500 MWORDS with modern 64-bit Linuxes)

In my system (CentOS 5.7, x86_64), the "ulimit -s” gives 10240, so I think it is not necessary to write this script.
The max MWORDS I can set in Firefly is 480. Is it possible to increase this value?
Actually I have tried to use "ulimit -s 20480 (and 40960)", however, this have no effect.

>Second, reduce the number of working threads used in the
>PT summation, and also add $smp httnp=1 $end to your input.
>How much physical (note not logical) cores are available on
>the system on which you are running Firefly?

I have tried reduce the number of working threads and this actually can reduce the memory.
The number of physical cores in our system is 12, two Intel(R) Xeon(R) CPU E5-2630 CPUs. I have disabled the HT in BIOS. The memory in our system is 48 Gb.

>Third, activate HAlloc option:

>

 $xmcqdpt halloc=.t. $end

>This will allow Firefly to use memory in the heap i.e.
>which is not covered by memory/mwords (the latter is organized
>as a stack).

This option reduce the memory to about 474 MWORDS, so my job has finished with "MWORDS=480".

>Finally, you can save some memory running Firefly in serial
>and using -nompi command line option.
>
>
>>For the EXETYP=CHECK, the job stops at "THE DETERMINANT FULL CI"

>> THE NUMBER OF DETERMINANTS HAVING SPACE SYMMETRY A  
>> IN POINT GROUP C1   WITH SZ=  0.0 IS        9018009
>> WHICH INCLUDES        2147145 CSFS WITH S=  0.0
>> WHICH INCLUDES        3864861 CSFS WITH S=  1.0
>> WHICH INCLUDES        2277275 CSFS WITH S=  2.0
>> WHICH INCLUDES         637637 CSFS WITH S=  3.0
>> WHICH INCLUDES          85995 CSFS WITH S=  4.0
>> WHICH INCLUDES           5005 CSFS WITH S=  5.0
>> WHICH INCLUDES             91 CSFS WITH S=  6.0
>> THE DETERMINANT FULL CI REQUIRES   514284263 WORDS

>> Fatal error, routine DETFCI needs at least 114284563 more words of memory!

>>This is not reasonable as the actual memory request of "THE DETERMINANT FULL CI" is "109225382 WORDS" (From the output of exetyp=run). Due to this error, I could not use exetyp=check to find a suitable value to fit into memory.

>This is because Firefly 8.0.0 uses distributed memory FullCI code
>so that the memory demands depends on the number of processes used
>in calculations. To get correct numbers during check runs,
>you should set

>

 $(ci)det distci="the desired number of processes" 

It works. Thanks.

>This allows you to check parallel code performing check run
>in serial. On the other hand, if you do not set distci,
>the check run assumes that single process will be used.
>Sorry this new code and options has not yet been documented.

>>In addition, I'm intrested in "CSFs selection" and I'm not clear on how to do this, could you comment on this in detail? Thanks.

>I'll provide details on this in my next post to this thread.

>Hope this helps.

>Kind regards,
>Alex Granovsky

>

[ This message was edited on Wed Jan 9 '13 at 11:03am by the author ]