CoMD
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ECP-copa
Classical molecular dynamics proxy application.
The link to the documentation on github.io does not resolve. Nor does the main website
Posting this issue on behalf of Guillaume: I looked at the random generator used in CoMD with great interest since I did the exact same thing (in F90) for one...
As is, when using a YAML parser there is a `Scanner error: mapping values are not allowed in this context`. This PR fixes #5. The problematic chunk of the output...
After several hours trying to debug an issue while plotting performance results, thinking there was an issue with my R script, I have realised that the YAML output is not...
The default behavior for eamReadSetfl does not populate the name field of the EamPotential struct, which caused a buffer overflow when running with "mpirun -n 1 ./bin/CoMD-mpi -e -t setfl...
Performance as measured by execution time in seconds is difficult to interpret between vendors or implementations. Please report performance in some more problem-specific metric such as atoms per second.