compiling:mpi
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compiling:mpi [2020/05/14 15:53] – created daniel | compiling:mpi [2020/05/14 16:15] – daniel | ||
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+ | //potfit// does support all common MPI implementations for parallel execution. While the build process for an MPI-enabled build is almost the same as a regular build, there are some minor differences you should be aware of. | ||
+ | ===== Basics ===== | ||
+ | |||
+ | In order to enable MPI support in //potfit// the '' | ||
+ | |||
+ | <wrap round warning 595px center> | ||
+ | When using '' | ||
+ | </ | ||
+ | |||
+ | A command to compile //potfit// with MPI support might look like this: | ||
+ | |||
+ | < | ||
+ | |||
+ | Usually you should see output similar to this: | ||
+ | |||
+ | < | ||
+ | Checking for ' | ||
+ | Checking for ' | ||
+ | Checking for ' | ||
+ | </ | ||
+ | |||
+ | All enabled options will also be listed on the summary of the configuration stage: | ||
+ | |||
+ | < | ||
+ | potfit has been configured with the following options: | ||
+ | potential model = apot | ||
+ | interaction | ||
+ | math library | ||
+ | options | ||
+ | </ | ||
+ | |||
+ | ===== Selecting the MPI compiler ===== | ||
+ | |||
+ | The selection of the MPI compiler depends on your MPI implementation. For [[https:// | ||
+ | |||
+ | To switch the compiler you can use this command (OpenMPI): | ||
+ | |||
+ | |||
+ | < | ||
+ | |||
+ | Checking the output, you should see that the '' | ||
+ | |||
+ | < | ||
+ | Checking for ' | ||
+ | Checking for ' | ||
+ | </ |
compiling/mpi.txt · Last modified: 2020/05/14 16:24 by daniel