RMC
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Download page |
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The source and the executables of
RMC_POT tested for Windows and Linux operating systems are available under the
GNU Public License. You are free to download, use and modify the programmes.
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N.B.:Newcomers to RMC should read the RMC_POT manual.
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RMC_POT++ |
The new code was tested on computers using WINDOWS and LINUX operation system. There is a slight difference in the code for these systems (invoked by compiler options) due to the fact, that the 8-byte long integers are named differently. There are some option switches in the alter.h file, choosing or not choosing them before compilation regulates some of the functionality the executable will poses. Compiling for multi-threaded execution also regulated only by compiler option. Some remarks on the parallel efficiency of the program can be found here. See the details of the available compiler options in the RMC_POT manual.
There will be a source code package for both of the supported platforms, the content of which will only differ in that the WINDOWS packages will contain the POSIX interface files. There are ‘ready to use’ packages as well for WINDOWS and LINUX. There will be two ‘ready to use’ packages for each platform, one compiled for consecutive, the other for multi-threaded execution, both in normal simulation mode with all the other available compiler options switched off the WINDOWS package on a 32-bit, but the LINUX package on a 64-bit processor. Both the source code and the ready packages contain the molecular move for the CCl4! There are other custom molecular moves, visit the molecular RMC page.
Always delete the *.o object files before
starting compilation with a new set of options, as make cannot detect in the
object files which options were used during their compilation, and it will use
the old compilation’s object files instead of recompiling them if the source
was not modified!
The manual for RMC_POT can be downloaded from the documentation page.
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The `ready to use' package contains
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the executable file
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a validation suite with
a set of template input files and examples
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only for WINDOWS parallel
package the necessary POSIX
interface files for multi-threading are provided with the instruction how to install
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The source codes package contains
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the C++ source files
and headers
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the LINUX Makefile, where
the option switches of the program can be switched ON by passing command line
arguments to make, see details here.
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the Microsoft Visual
C++ project files only in the Windows package
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only for WINDOWS the
necessary POSIX interface files for multi-threading are provided with the instruction how to install
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Windows package |
The executable for Microsoft
Windows systems was compiled with Microsoft Visual C++.
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Download the latest
(Version 1.1) RMC_POT++ Windows consecutive
ready to use package (compressed
with Winzip 1,317 kB).
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Download the latest
(Version 1.1) RMC_POT++ Windows
parallel ready to use package (compressed with Winzip 1,317 kB).
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Download the latest
(Version 1.1) RMC_POT++ Windows source
package (compressed
with Winzip 573 kB).
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Download the validation
suite test_run separately, the same
included in the ready to use package (compressed with Winzip 897 kB )
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Linux package |
The executable for Linux/Unix
systems was compiled with the GNU C++ compiler (Linux Debian g++ 4.3.2) on a
64-bit processor.
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Download the latest
(Version 1.1) RMC_POT++ Linux/Unix consecutive ready to
use package (tar
archive, compressed with gzip, 1,314 kB).
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Download the latest
(Version 1.1) RMC_POT++ Linux/Unix parallel ready
to use package (tar
archive, compressed with gzip, 1,314 kB).
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Download the latest
(Version 1.1) RMC_POT++ Linux/Unix source package (tar archive, compressed with gzip,
536 kB).
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Download the validation
suite test_run separately, the same
included in the ready to use package (tar archive, compressed with gzip, 921 kB)
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Older versions |
If you want to download the last (1.6.1) version of
RMC_new or RMC_multi you can do it from here, but it is not supported
anymore.
If you
want to download the old, united atomic-molecular RMC++ version, you can do it here, but it is not supported any more,
since RMC_new and RMC_multi is written!
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Auxiliary programs |
Some auxiliary programs to facilitate the usage of RMC can be downloaded from here, see the section about the auxiliary programs in the manual:
· Create starting configuration with fortran programme Crystal for Windows or Linux. For Windows only the source, for Linux the source and an executable compiled by g77 on a 64-bit processor is given. You can use for example Plato3 to compile it under Windows. It is a simple program, the usage is self-explanatory.
· FNC_config is a C++ programs, which can create a multi-component starting configuration and fnc with known coordination number around the central atom (the central atoms’ coordinate has to be supplied in an RMC configuration file), or a *.fnc file for an existing RMC configuration. See the details in the manual. Download FNC_config source and executable and some simple examples for Windows or Linux.
· The convert_gromacs program can convert between the RMC and molecule dynamics simulation program GROMACS format configuration file (which can be useful to create starting configurations for molecules). See the manual for details. Download the Windows or Linux packages containing the source, executable and an example, and a detailed manual for the program.
· The convert_CMconfigs porgram can convert the RMC configurations to text type *.cmtx file of CrystalMaker. See the manual for details. Download the Windows or Linux packages containing the source, executable and an example parameter file, and a manual for the program.
· Create X-ray data file with coefficients for X-ray fitting with the simple, self-explanatory fortran77 program xcoeff for Windows or Linux. For Windows only the source is given, you can use for example Plato3 to compile it. The linux version was compiled with g77. The program inherently contains the atomic form factor parameters for the calculation according to D. Waasmaier and A. Kirfel Acta Cryst. (1995). A51, 416-431. The program uses the xcoeff.dat file for the system parameters, and needs a file containing the Q-F(Q) values for input, see the dime-disu_raw.dat for the format. It is important to note, that chemical symbols have to be in the following format: first letter is capital, the following small (like He), and for ions always give the charge number, even if it is 1 (like Na1+)!
Last change by Orsolya Gereben 07/03/2011