Dear AMBER community,
I am trying to install AMBER, first the serial version, and ultimately the GPU-enalbed version.
I’m trying to do the installation on my account at the PSC (I was told each user has to install it for his/herself), but I’m having trouble. Below is the issue:
The provided instructions say "mdgx was giving an error message and it is no longer used, so, in
the run.cmake add -DDISABLE_TOOLS=“mdgx”
I found run_cmake, not run.cmake. Assuming it’s the same file, I added -DDISABLE_TOOLS=“mdgx”, but cmake complained:
Parse error in command line argument: -DDISABLE_TOOLS
Should be: VAR:type=value
CMake Error: No cmake script provided.
CMake Error: Problem processing arguments. Aborting.
If I omit -DDISABLE_TOOLS, cmake works, and the following installation looks fine, but when I run the tests, I get the below errors:
possible FAILURE: check bis_2.out.dif
possible FAILURE: check spc.xvv.other.dif
possible FAILURE: (ignored) check /jet/home/mag14011/amber22/AmberTools/src/FEW/examples/test/calc_a_1t/AMT/pqr_snaps/AMT_rec.pqr.3.dif
possible FAILURE: check nve.out.dif
possible FAILURE: (ignored) check min.out.dif
These tests don’t appear to have anything to do with mdgx unless I’m mistaken. How can I resolve these (possible) failures? I don’t know what they mean.
Ultimately, I want to install the GPU enabled version. I’d appreciate any help getting that done to move my research forward!
Best,
Matthew
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Received on Wed Nov 09 2022 - 08:00:03 PST
