CRYSTAL23 for Unix/Linux/MacOSX is supplied as binary executables or object files for a number of supported architectures.
Precompiled executables include sequential (crystal, properties) and replicated data parallel version (crystalOMP, Pcrystal, PcrystalOMP, Pproperties).
The massively parallel version (distributed memory, MPPcrystal, MPPcrystalOMP) is only supplied as object files.
Replicated data and distributed memory parallel versions of the code are both available as pure MPI and hybrid MPI+OpenMP.
Not all documentation and binary files are downloadable yet. Please check News for updated information.
CRYSTAL23 for Windows (64bit) is supplied as self installing file, and a Windows graphical interface written by P. Ugliengo to prepare and modify the input and submit jobs.
See also Installation instructions
Parallel executable: Pcrystal - Installation instructions
Parallel executables (Pcrystal and MPPcrystal) from object files - Installation instructions
| Binary download filename | crystal23_v1_0_1_Linux-ifort21.4_openmpi4.1.1_exe.tar.gz crystal23_v1_0_1_Linux-ifort21.4_openmpi4.1.1_omp_exe.tar.gz |
|---|---|
| Operating system | Debian 10.1 (buster) - Kernel 4.19.0-6 |
| Compilers | Intel Fortran OneAPI Compiler 2021.4.0 / Intel C/C++ OneAPI Compiler 2021.4.0 |
| Linear algebra libraries | Intel MKL 2021.4.0 |
| MPI libraries | Openmpi-4.1.1 |
| Processor comunication | TCP/IP (ch_p4) |
| Processor connection | ssh |
| Notes |
Sequential: crystal, crystalOMP, properties Parallel: Pcrystal, PcrystalOMP, Pproperties |
| Generation date | 12 October 2022 |
| Objects download filename | crystal23_v1_0_1_Linux-ifort21.4_Pdistrib.tar.gz crystal23_v1_0_1_Linux-ifort21.4_MPPdistrib.tar.gz crystal23_v1_0_1_Linux-ifort21.4_PdistribOMP.tar.gz crystal23_v1_0_1_Linux-ifort21.4_MPPdistribOMP.tar.gz |
|---|---|
| Compilers | Intel Fortran OneAPI Compiler 2021.4.0 / Intel C/C++ OneAPI Compiler 2021.4.0 |
| Notes |
Both pure MPI and hybrid MPI+OMP binaries can be generated: Pcrystal, PcrystalOMP, Pproperties MPPcrystal, MPPcrystalOMP |
| Generation date | 12 October 2022 |
| Binary download filename | crystal23_v1_0_1_MacOsX-gnu_12.1_openmpi4.1.1_exe.tar.gz crystal23_v1_0_1_MacOsX-gnu_12.1_openmpi_4.1.1_omp.exe.tar.gz |
|---|---|
| Operating system |
Darwin Kernel Version 21.6.0 MacOsX Monterey kernel 21.6.0 |
| Compilers |
GNU Fortran Compiler /gcc version 12.1.0 clang version 14.0.0 |
| MPI libraries | Openmpi-4.1.1 |
| Processor comunication | TCP/IP (ch_p4) |
| Processor connection | ssh |
| Notes |
Sequential: crystal, crystalOMP, properties Parallel: Pcrystal, PcrystalOMP, Pproperties |
| Generation date | 12 October 2022 |
| Objects download filename | crystal23_v1_0_1_MacOsX-gnu_12.1_Pdistrib.tar.gz crystal23_v1_0_1_MacOsX-gnu_12.1_PdistribOMP.tar.gz |
|---|---|
| Compilers |
GNU Fortran Compiler /gcc version 12.1.0 clang version 14.0.0 |
| Generation date | 12 October 2022 |