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                                            cdpoon

I/O error when parsing Tinker Output

I have just created a Singularity image for the latest version of ForceBalance from Github with Tinker8 and Tinker9. Run the tutorial, 006_ccl4_amoebe, gives the same error as the following....

I/O error when parsing Tinker Output

It works. With the local fix, 006_ccl4_amoeba runs to completion.

Tinker9 Compilation with cc89 and cc90

In April 2023, @aurbn had described how to do the compilation with cc89. https://github.com/TinkerTools/tinker9/discussions/121 Basically, 3 lines are commented out in the CMakeLists.txt file in the Tinker9 distribution. With CUDA...