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automatically shut down when running with quadcore

Patrick SK Pang

Dear all,

I execute Firefly 7.1.G with the laptop computer, which was equipped with an Intel Core(TM)2 Quad CPU Q9000, 4 GB RAM and one 288 GB hard disk under 32 bit Windows Vista Business service pack 2.

After installing Firefly, I followed the instructions indicated in the web site that
1. pcgp2psm.dll was renamed as pcgp2p.dll in the Firefly root directory.
2. mpibind.nt-mpich-smp.dll was put into the Firefly root directory, and renamed as mpibind.dll

When 4 cores were employed, the machine would shut down automatically as starting the SCF calculation in the second step of the geometry optimization. The Event ID 6008 was found in the System event log. However, it would not happen when 1 core was used.

The command line is
firefly.exe -i c:\users\pangsiukwong\tmp\B3LYP-nogalamycin-geom-restart6.inp -o c:\users\pangsiukwong\tmp\B3LYP-nogalamycin-geom-restart6.log -t c:\users\pangsiukwong\tmp\scratch -np 4

The input file and the output file are attached for your reference.

Thank you for your attention.

Patrick Pang

This message contains the 8 kb attachment
[ B3LYP-nogalamycin-geom-restart6.inp ]

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