User Tools

Site Tools


dev:compiler_support

While CP2K adheres to the Fortran 2003 standard, not all compilers (or compiler versions) are able to build CP2K correctly. GCC is the most tested compiler. We test some Intel Compiler versions. All other compilers are only used for testing and they are not fully supported, i.e. they can be used with some restrictions. For more details see the CP2K dashboard. For all other compilers and compiler versions not listed in the table, we suggest testing them by yourself by using the regression tests. The table below reports the status of compiling and testing CP2K trunk version, as reported by the dashboard.

Compiler Versions Systems Support Known Issues
GCC ≥ 4.6.4 x86_64 OK None
Intel ≤ 16.0.4 20160811 X86_64 Doesn't compile Failing compilation in dbcsr
Intel 17.0.1 20161005 X86_64 Partial MPI parallelization broken (due to MKL)
Intel 17.0.4 20170411 X86_64 OK None
Intel 18.0.0 20170811 X86_64 Broken Fails at runtime
PGI ≤ 17.10 X86_64 Doesn't compile Failing compilation in dbcsr
flang x86_64 Horribly broken #239, #424
Cray compiler CCE 8.6.1, 8.6.2, 8.6.5 x86_64 Broken Numerical instabilities, threading broken
Cray compiler CCE 8.7.0 x86_64 OK None (only POPT tested)
IBM XL Fortran 14.01 IBM/BlueGene Q OK None (only POPT tested)
dev/compiler_support.txt · Last modified: 2018/04/23 15:44 by alazzaro