[CPMD-list] test calculation problems.

[Sombat Ketrat]

Dear CPMD-Community,

I'm a beginner on CPMD code. I've installed CPMD 3.7.2 on SuSE 9.0 linux 
PC with pgf77 and also with ifc complier (in the case of ifc I used the 
LAPACK/BLAS/ATLAS library from Dr. Axel Kohlmeyer). The complation step 
is seem to be well done. I submitted the test calculations with the 
input provided by cpmd download page. The output which I found are a bid 
differ from the output from provided (the provided outputs were 
calculated by CPMD 3.7.1). Onething I'm very suprising is the time for 
calculation. The jobs which calculated by my binary took much more time 
(about 5 min from the provided output and 8 hours 11 min. from my 
calculation.

the questions is,
1) anyone know the type of mechines which calculated on the provided 
outputs.
2) Is it the resonable output for my calculation?

if one have any comments or suggestions please share your idea. Thanks 
in advanced.

regard,
Sombat

ps. I attached the input and output from me and provider in this email. 
It's the 2 molecule of C60 in the std directory of untar cpmd-test.tar.Z 
file.

-- 
Sombat Ketrat: S. Ketrat
Home   : Luxemburgerstr. 124-136 (Uni-Center)
         Et-Zi 10-32, 50939 Koeln, Germany
Office : Institut fuer Theoretische Chemie,
         Universitaet zu Koeln, Greinstr. 4, 
         50939 Koeln, Germany
Tel.   : ++49(0)221-470-6885
Fax.   : ++49(0)221-470-6896
E-mail : sombat.ketrat at uni-koeln.de
WWW http://www.uni-koeln.de/math-nat-fak/tcchem/mitarbeiter/ketrat/ketrat/

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