![]() In case you see a warning about C++11 support during. Some compilers do not declare full support, but implement anyway a number of C++11 features sufficient to compile PLUMED (this is the case for instance of intel 15 compiler). configure script verifies that your compiler supports C++11. The following compilers (or later versions) should be sufficient: If your favorite MD code is available "PLUMED ready" you will have to compile PLUMED first, then (optionally) install it, then check the MD codes' manual to discover how to link it.Īs of PLUMED 2.4, we require a compiler that supports C++11. Notice that MD codes could in principle be "PLUMED ready" in their official distribution. It is thus recommended that you read the instructions at the end of this page. For some MD codes these instructions are insufficient. Again, if you are impatient, something like this will do the job: > cd /md/root/dir However, because PLUMED is mostly used to bias on the fly simulations performed with serious molecular dynamics packages, you can find instructions about how to patch your favorite MD code so that it can be combined with PLUMED below. Once the above is completed the plumed executable should be in your execution path and you will be able to use PLUMED to analyze existing trajectories or play with the Lennard-Jones code that is included. However, we strongly recommend to perform a full install. This is very useful so as to quickly test the implementation of new features. Notice that make install is not strictly necessary as plumed can be used from the compilation directory. > make doc # this is optional and requires proper doxygen version installed ![]() For those of you who are impatient, the following might do the job: >. In this page you can learn how to configure, compile, and install PLUMED. ![]()
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