[molpro-user] running error IBM AIX 5.2 / tcgmsg

Jean-Pierre Dognon dognon at drecam.cea.fr
Fri May 27 08:03:47 BST 2005


Hi,

I try to run a job in parallel (1 node 4 processors) which fail in MP2  
part with the following error:

Using GA buffers in DKEXTS. Buffer size=   48.08 MW, File size= 611.67  
MW, Incore buffer=   35.17 MW
  Warning: trying to exceed free GA space of  32.00 MW
  KEXT needed  1 integral passes. Memory used: 149.99 MW  CPU time:   
29327.15 sec
  No memory left in getmem. Have: 0   Need:  8049
  GETMEM ERROR IN GETMEM   Info   Allo
   Memory allocation map
   ---------------------
   FldNam   VarTyp            ID   Length     iPos
   - - - - - - - - - - - - - - - - - - - - - - - -
   INFO
  ERROR EXIT
  CURRENT STACK:      MAIN
   
************************************************************************ 
**********************************************************
  DATASETS  * FILE   NREC   LENGTH (MB)   RECORD NAMES
               1      20     3803.86       600      500      700       
960      900      950      970     1000     1100     1400
                                         BASINP     VAR     GEOM     
ABASIS   SYMINP    ZMAT    AOBASIS   BASIS      S        T
                                          1410     1420     1200      
1210     1080     1600      129     1650     1700     1380
                                            V       ECP      H0        
H01     AOSYM     SMH      P2S    MOLCAS    OPER     JKOP

               2       3       10.18       700     1000     2100
                                          GEOM     BASIS     RHF

               5       5     2376.97      4000     4001     4002      
4003     3600

               6       3     4755.26      4000     4001     4002

               7       3     7100.19      4200     4100     5401

               8       1     3818.13      5400

  PROGRAMS   *        TOTAL       MP2    HF-SCF       INT
  CPU TIMES  *     36113.51  32337.76   3768.41      7.15
  REAL TIME  *     54939.05 SEC
  DISK USED  *        35.25 GB
  SF USED    *        18.05 GB
  GA USED    *       769.30 MB (max)        .00 MB (current)
   
************************************************************************ 
**********************************************************
  GA ERROR termxy
  GA ERROR 0:0:termxy:: 0
   0: ARMCI aborting 0 (0).


in the beginning of the output file I have:
  ga_uses_ma=false, calling ma_init with nominal heap. Any -G option  
will be ignored.

and in the .molprorc:
-G 32000000 # MA memory

have you any idea?

thank you

Best Regards

Jean-Pierre Dognon




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