Gaussian-4 (G4) theory calculations in Gaussian 16 Rev. B.01 can produce erratic results. A workaround is to use Gaussian 16 Rev. A.03 or Rev. C.01, e.g.:
module load gaussian/g16c01
Gaussian 16 Rev. A.03 has been made the default module on all clusters. A typical symtom is energy blow up in step 8 resulting in an unusually large, erroneous HF/GFHFB2 energy and consequently an incorrect G4 total energy.
On Pitzer both LAMMPS 22Aug18 and 5Jun19 gpu jobs with ppn=40 hang immediately after lammps begins execution. A workaround is to use ppn=39.
We are experiencing problems with the ArcGIS license server. We will resume working on restoring access to this software on October 24th, 2018.
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It is fixed and running correctly on Oct 14, 2018
We are experiencing problems with the LS-DYNA license server. We will resume working on restoring access to this software on October 24th, 2018.
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It has been fixed and working correctly since Oct. 24, 2018
Libraries for intel/18.0.3 and intel/17.0.7 are not compatible with cxx17.
Intel compilers need gnu library to support 2017 ISO C++ standard, and cxx17 is the module to load the gnu environment for the intel compilers.
You could have errors when you try to compile with the libraries with the default intel environment.
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We fixed the issue on Sep 19, 2018. Please contact OSC Help if you have any questions.
If you run a parallel (or even serial!) job, but not using all the cpus per node, the number of processes and their distribution is OK, but on the first node it appears they are all pinned to 1 cpu.
On Owens, usage of user-defined material (UMAT) script for abaqus is limited as following:
abaqus 2017: correctly running on single and multi-nodes
abaqus 6.14 and 2016: correctly running only on a single node
Resolved: We confirmed that this is an issue on the old versions only. The software page indicates this issue.
LAMMPS 14May16 on Owens can hang when using the velocity command. Inputs that hang on Owens work on Oakley and Ruby. LAMMPS 31Mar17 on Owens also works. Here is an example failing input snippet:
velocity mobile create 298.0 111250 mom yes dist gaussian
run 1000
Update: We think this is fixed. Please submit a ticket if you encounter further problems.
As a result of updates made during yesterday's downtime, software built with mvapich2/1.7 is failing with the error:
libibumad.so.2: cannot open shared object file: No such file or directory
We're working on fixing the problem.
