[molpro-user] GA-space will be limited to 0.0 words (determined by -G option)

bo li libo7807 at googlemail.com
Wed Jun 20 14:46:26 BST 2007


Hello,

   I just get in touch molpro recently, and run the first test job and got
the following error informations. could anyone give me some clues why it
happen?

output:

compute-1-13 cluster:0 nodes:1 master=0

 MPP nodes  nproc
 compute-1-13    1
 ga_uses_ma=false, calling ma_init with nominal heap.
 GA-space will be limited to   0.0 words (determined by -G option)


input:

***,ttest-dir
memory,200,m
file,2,test-dir.wfu
gdirect
geomtyp=zmat
geometry={
nosym
noorient
C,,       2.238561188  ,  0.214162850 ,   0.000248695
C,,       2.621931610  , -2.417606353 ,   0.000169557
C,,       5.090351116  , -3.406557352 ,   0.000014148
C,,       7.180784670  , -1.762342152 ,  -0.000087737
C,,       6.801123362  ,  0.869724514 ,   0.000000792
C,,       4.331009873  ,  1.855368311 ,   0.000168119
H,,       0.315612189  ,  0.977023393 ,   0.000379367
H,,       0.989118826  , -3.691403811 ,   0.000239110
H,,       5.386222898  , -5.456806588 ,  -0.000045841
H,,       9.103953627  , -2.531499547 ,  -0.000227870
H,,       8.429007554  ,  2.150575487 ,  -0.000070553
H,,       4.034307623  ,  3.905621231  ,   0.000228146
}
basis=sto-3g
hf;
optg
---


many thanks in advance!

bo Li
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