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authorMarty Kandes <mkandes@sdsc.edu>2020-10-23 16:58:13 -0700
committerGitHub <noreply@github.com>2020-10-23 18:58:13 -0500
commit4cf85ed5f715fc93fe88cabeed08f8dc94fc8e68 (patch)
treee9b768d5770f3f300cd50227ab156a51199b8285 /share
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Fix GROMACS to require FFTW when using cuda (#19505)
GROMACS still requires a version of FFTW when compiling it to utilize NVIDIA GPUs. In fact, the type of calculation that depends on FFTW -- Particle-Mesh Ewald (PME) -- is generally run on the host system's CPUs, even when GPUs are available.
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