[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20070620/cc237f64/attachment.html>
More information about the Molpro-user
mailing list