hpc:linking_libraries
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hpc:linking_libraries [2013/07/01 14:41] – external edit 127.0.0.1 | hpc:linking_libraries [2020/08/09 10:27] (current) – [How to link libraries] Jean-Michel Beuken | ||
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====== How to link libraries ====== | ====== How to link libraries ====== | ||
+ | |||
+ | Numerous details given in: | ||
+ | {{ : | ||
+ | |||
+ | The bottom line is you should first try to get a system administrator to compile ABINIT for you on their machine (they may already have done so!). They are most knowledgeable about optimization and library dependencies, | ||
+ | |||
+ | Libraries are set up at configuration time using command line arguments or lines in the configuration file. As an example for FFTs: | ||
+ | < | ||
+ | ./configure --with-fft-flavor=fftw3 --with-fft-libs=" | ||
+ | </ | ||
+ | or in your .ac configuration file (note the dashes become underscores) | ||
+ | < | ||
+ | with_fft_flavor=fftw3 | ||
+ | with_fft_libs=" | ||
+ | with_fft_incs=" | ||
+ | </ | ||
+ | Other library dependencies will have similar libs and incs flags for the library objects and for the header / fortran module files. | ||
+ | |||
+ | ==== Libraries ==== | ||
+ | Using optimized libraries is essential to get the full performance out of ABINIT. HPC will provide vendor-optimized versions of the libraries which are tuned to processor models, architecture, | ||
+ | |||
+ | ==== Modules ==== | ||
+ | Most modern HPC infrastructures work with the [[http:// | ||
+ | |||
+ | ==== easybuild ==== | ||
+ | to be completed | ||
+ | |||
+ | ==== Anaconda ==== | ||
+ | Anaconda provides a systematic package management environment, | ||
+ | |||
+ | to be completed | ||
hpc/linking_libraries.1372682461.txt.gz · Last modified: 2013/07/01 14:41 by 127.0.0.1