NCBI blocks any connection from computing nodes because they are behind firewalls. Thus OSC users cannot use SRA tools to download data "on-the-fly" at runtime on computing nodes, e.g. 'fastq-dump -X 5 SRR390728'. OSC users must download SRA data on login using the command 'prefetch' before any sequence analysis. Please see the section 'Download SRA Data' in the SRA Toolkit software page for more detail.
We will have rolling reboots of all three clusters starting 9:30 AM June 05, 2019.
Extra 'pmlogger' messages during job startup and ending on Owens and Pitzer on March 11, 2019
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.