Comments (5)
owainkenwayucl
commented on August 15, 2024
OK, the checksum appears to be 829f6c584b4448f9628b45b78a23b32e for version 2.2.
VERSION=2.2 MD5=829f6c584b4448f9628b45b78a23b32e ./plumed-2.1.2_install
Appears to have worked, and I've put in place a module.
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owainkenwayucl
commented on August 15, 2024
Right. Plumed 2.2 doesn't know about GROMACS 5.1.1. I'm telling it that it's 5.1.0. Let's see what happens.
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owainkenwayucl
commented on August 15, 2024
Well it seems to be compiling.
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owainkenwayucl
commented on August 15, 2024
VERSION=5.1.1 MD5=5c075141aa69dc4859cad0a55e61d35e CMAKE_FLAGS=-DCMAKE_LINKER=icc ./gromacs-5.0.4-plumed_install
Seems to have worked. Putting in module file now.
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owainkenwayucl
commented on August 15, 2024
And the module file is in.
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