Dear Morad,
What exactly do You mean by freezing?
Is CPU still busy (see e.g. Task Manager)?
When I had problems with launching
Gaussian
on some elderly server station (but also with Intel Xeon
CPU, 64-bit Intel® Xeon® Processor 3.20 GHz, 2M Cache, 800
MHz
FSB), I had this error message:
Error: illegal
instruction, illegal opcode
This certainly means there is a
problem with CPU instructions, i.e., Gaussian is not
compiled on a similar system. Do You see any error messages if You
launch Gaussian from Windows Command
Prompt?
It can also be helpful if Your Route
section began with #P rather than just # – then we could have seen
more specifically when the error happens.
With best intentions,
Igors Mihailovs
Research assistant
ISSP ULatvia
On 28/11/17 18:49, Morad El-Hendawy
morad.elhendawy^_^yahoo.com wrote:
Sent to CCL by: "Morad El-Hendawy"
[morad.elhendawy-,-yahoo.com]
Dear CCLers,
Recently we bought a server with Intel Xeon Processor E5-2698 v4 then
installed Windows Server 2008 (64 bit) operating system. We installed
Gaussian 09W program properly and tested methane molecule for single
point energy calculation but the program stopped at two electron integral
calculations stage. Although PM6 was used for computation but the
program was freezing. Herein, you can see the output.
Gaussian 09: IA32W-G09RevA.02 11-Jun-2009
27-Nov-2017
******************************************
-----------------------
# pm6 geom=connectivity
-----------------------
1/38=1,57=2/1;
2/12=2,17=6,18=5,40=1/2;
3/5=2,16=1,25=1,41=3900000/1,2,3;
4/35=1/1;
5/5=2,35=1,38=5/2;
6/7=2,8=2,9=2,10=2,28=1/1;
99/5=1,9=1/99;
-------------------
Title Card Required
-------------------
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
C 0.46908 0.2234 -0.01464
H 0.82574 -0.78541 -0.01464
H 0.82576 0.7278 0.85901
H 0.82576 0.7278 -0.88829
H -0.60092 0.22341 -0.01464
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.469083 0.223401 -0.014643
2 1 0 0.825738 -0.785409 -0.014643
3 1 0 0.825756 0.727799 0.859009
4 1 0 0.825756 0.727799 -0.888294
5 1 0 -0.600917 0.223414 -0.014643
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4 5
1 C 0.000000
2 H 1.070000 0.000000
3 H 1.070000 1.747302 0.000000
4 H 1.070000 1.747302 1.747303 0.000000
5 H 1.070000 1.747303 1.747303 1.747303 0.000000
Stoichiometry CH4
Framework group T[O(C),4C3(H)]
Deg. of freedom 1
Full point group T NOp 12
Largest Abelian subgroup D2 NOp 4
Largest concise Abelian subgroup D2 NOp 4
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.000000 0.000000 0.000000
2 1 0 0.617765 0.617765 0.617765
3 1 0 -0.617765 -0.617765 0.617765
4 1 0 -0.617765 0.617765 -0.617765
5 1 0 0.617765 -0.617765 -0.617765
---------------------------------------------------------------------
Rotational constants (GHZ): 164.2463785 164.2463785 164.2463785
Standard basis: VSTO-6G (5D, 7F)
There are 2 symmetry adapted basis functions of A symmetry.
There are 2 symmetry adapted basis functions of B1 symmetry.
There are 2 symmetry adapted basis functions of B2 symmetry.
There are 2 symmetry adapted basis functions of B3 symmetry.
Integral buffers will be 262144 words long.
Regular integral format.
Two-electron integral symmetry is turned off.
8 basis functions, 48 primitive gaussians, 8 cartesian basis
functions
4 alpha electrons 4 beta electrons
nuclear repulsion energy 14.5519821625 Hartrees.
Do NDO integrals.
One-electron integrals computed using PRISM.
NBasis= 8 RedAO= F NBF= 2 2 2 2
NBsUse= 8 1.00D-04 NBFU= 2 2 2 2
The question: Is G09RevA.02 is not compiled with Windows Server 2008
and/or server hardware?
Any help please?
Morad El-Hendawy, Ph.D.
Assiut University, Egypt
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