hi,
i was wondering if anyone has gotten amber 7 nmode to compile and run on
a mac g5 running os x 10.3 with the ibm xlf and xlc compilers. the
compilation
seems to work, but when trying to run the tests, it hangs after:
***************** ***************** *****************
step = 0
F = -0.132945E+02 GRDMAX = 0.927477E-04 GNORM = 0.348423E-04
E-NONB E-ELE E-HBOND
E-BOND
-0.94984E+00 -0.23550E+02 -0.48166E+00
0.27028E-01
E-ANGLE E-DIHED E-NB14
E-EEL14
0.74137E+00 0.94371E-01 0.86708E+00
0.99568E+01
E-POL E-3BOD
0.00000E+00 0.00000E+00
before it gets to:
| lwork = 324; best value would be 107.
| Time for diagonalization: 0.02
*******************
- Thermochemistry -
*******************
any suggestions would be appreciated,
thanks
--knut
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Received on Mon Nov 08 2004 - 23:53:00 PST
