Ask.Cyberinfrastructure

How do I estimate if the hard time limit will be exceeded before submitting a job? [Q&A] (2)
What are good tools for determining where a program is spending the most wallclock time? [Q&A] (4)
Does GAMESS benefit from running calculations on multiple compute nodes? If so, what methods scale the best across many compute nodes on a cluster? [Q&A] (3)
Why was Rocks software named "Rocks"? [Q&A] (3)
What is the best place and/or mechanism to load modules to run a calculation? [Q&A] (2)
Running R code in parallel in an HPC environment [Q&A] (3)
Why is casting a double to an integer so slow? [Q&A] (5)
How many MPI ranks should I request for a GAMESS calculation? [Q&A] (2)
How can I restart my GAMESS calculation and resubmit? [Q&A] (2)
Is there a way to reduce the amount of disk files GAMESS uses, or even run the calculations entirely in RAM? [Q&A] (2)
Where can I find introductory material on publishing research data? [Discussion Zone] (2)
How can I determine how much memory I need before submitting my GAMESS calculation? [Q&A] (2)
Tensorflow script to run on single core [Q&A] (3)
How to reduce memory footprint without restructuring mpi code [Q&A] (3)
What are on-loading and off-loading interconnects? [Q&A] (2)
Duo for Multi-Factor Authentication using Bridges [Q&A] (1)
How to determine if jobs are dying on their own or from the scheduler? [Q&A] (1)
How can I mount a Common Internet File System (CIFS) on a Linux server with group write permissions? [Q&A] (2)
Environment modules file for my own build of LAMPPS, netCDF and MPI [Q&A] (2)
In a PBS Pro select statement, what's the difference between procs and mpiprocs? [Q&A] (2)
I am exploring a parameter space, and need to launch several hundred variants of the same small job. What can I do to ensure the shortest completion time? [Q&A] (2)
How do I estimate wall clock time? [Q&A] (3)
Why is Docker not widely used in multi-user cluster environments? [Q&A] (3)
How can I use EasyBuild to manage building multiple versions of netCDF for different compiler and MPI versions? [Q&A] (2)
How do I check that all mount points are in place, and mark a node out of service if a mount point is missing before a job is scheduled in Slurm? [Q&A] (3)
I am a Sun Grid Engine user moving to SLURM. What are a few of the basic commands that I can use to get started? [Q&A] (4)
MPI program runs out of memory [Q&A] (2)
How to achieve the best throughput of many parallel jobs? [Q&A] (2)
How I can improve the performance of my job that needs to perform many I/O operations with a very large text file [Q&A] (2)
I am an LSF user moving to SLURM. What are a few basic commands that I can use to get started? [Q&A] (3)