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dev:compiler_support

While CP2K adheres to the Fortran 2008 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 for a specific commit, as reported by the dashboard (current tested versions are in bold).

Compiler Versions Systems Support Known Issues Last commit tested
GCC < 4.8 any Doesn't compile Fails with Pointer bounds remapping not yet implemented., F2003/F2008 too incomplete 8d0aca4
GCC 4.8.5 x86_64 UNSUPPORTED 3rd-party projects in the toolchain need C++11/14 support 5e37bfe
GCC 4.9.2 x86_64 UNSUPPORTED Starting from CP2K v8.1 proper OpenMP support is required, GCC<5 had issues with OMP ATOMIC ec01bc2
GCC 6.5 x86_64 Partial RPA/MP2 crash #1203 87ec159
GCC 5.5, 7.5, 8.3, 8.4, 9.3, 10.1, 10.3, 11.2 x86_64 OK None Latest
GCC 8.3 ARMv7l OK None Latest
GCC 10.2.1 ARM64 OK None Latest
Intel ≤ 16.0.4 X86_64 Doesn't compile Failing compilation in dbcsr d1f6d40
Intel 17.0.1 X86_64 Partial MPI parallelization broken (due to MKL) 400f96b
Intel 18.0.0, 18.0.1 X86_64 BROKEN Fails at runtime 4a6d2ce
Intel 19.0.0 X86_64 Doesn't compile Compilation aborted for lri_forces.F90 1037acf
Intel 17.0.4, 18.0.3, 19.0.3 x86_64 OK None ae9949d
Intel 18.0.5 x86_64 OK None 975d77f
Intel 19.0.4 x86_64 OK None 39a048b
Intel (classic) 19.1.1, 19.1.3, 2021.3 X86_64 OK None Latest
Intel (oneAPI: ifx) 2021.3 X86_64 UNSUPPORTED Incomplete Fortran standards support Latest
PGI ≤ 20.4 X86_64 BROKEN Fails compilation in dbcsr (ticket open @ PGI) e2a1c08
(ARM) flang x86_64 BROKEN #424, more issues: #891, #892, #893, #894, #896 d1f6d40
Cray compiler CCE 8.6.1, 8.6.2, 8.6.5 x86_64 BROKEN Numerical instabilities, threading broken d1f6d40
Cray compiler CCE 8.7.4, 8.7.5 x86_64 Doesn't compile Failing compilation 1d20fad
Cray compiler CCE 8.7.0, 8.7.1, 8.7.2, 8.7.3, 8.7.6, 8.7.7, 8.7.8, 8.7.9 x86_64 OK None (only POPT tested) 7ea2c6e
Cray compiler CCE 8.7.10 x86_64 OK None (only POPT tested) d0d6bfb
Cray compiler CCE 9.0.2 x86_64 OK None (only POPT tested) 03179a6
Cray compiler CCE 9.1.3 x86_64 OK None (only POPT tested) 39a048b
Cray compiler CCE 10.0.3 x86_64 OK None (only POPT tested) aa0815f
Cray compiler CCE 11.0.2, 11.0.4 x86_64 BROKEN Compiler bug in memory handling of strings 975d77f
Cray compiler CCE 12.0.3 x86_64 Partial Numerical instabilities in RPA/MP2 Latest
IBM XL Fortran 14.01 IBM/BlueGene Q OK None (only POPT tested) 4a6d2ce
Fujitsu Fortran 4.3.1 Isambard 2 BROKEN Fails compilation in DBCSR
dev/compiler_support.txt · Last modified: 2021/09/15 09:06 by tmueller