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Martin Kurečka
Plumed AlphaFold
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362a53dc
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362a53dc
authored
7 years ago
by
Giovanni Bussi
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user-doc/Installation.md
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@@ -648,15 +648,9 @@ It will take more time to compile but it will allow you to use a single module.
PLUMED version with different optimization levels.
Using modules, it is not necessary to make the PLUMED module explicitly dependent on the used library. Imagine a
<<<<<<< HEAD
scenario where you first installed a module
`libxdrfile`
, then load it while you compile PLUMED. If you
provide the following option to configure
`LDFLAGS="-Wl,-rpath,$LD_LIBRARY_PATH"`
, the PLUMED executable and
library will remember where libxdrfile is, without the need to load libxdrfile module at runtime.
=======
scenario where you first installed a module
`libmatheval`
, then load it while you compile PLUMED. If you
provide the following option to configure
`--enable-rpath`
, the PLUMED executable and
library will remember where libmatheval is, without the need to load libmatheval module at runtime.
>>>>>>> v2.4
library will remember where libxdrfile is, without the need to load libxdrfile module at runtime.
Notice that this trick often does not work for fundamental libraries such as C++ and MPI library. As a consequence,
usually the PLUMED module should load the compiler and MPI modules.
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