# # This file is part of the GROMACS molecular simulation package. # # Copyright (c) 2012,2013,2014, by the GROMACS development team, led by # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, # and including many others, as listed in the AUTHORS file in the # top-level source directory and at http://www.gromacs.org. # # GROMACS is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License # as published by the Free Software Foundation; either version 2.1 # of the License, or (at your option) any later version. # # GROMACS is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public # License along with GROMACS; if not, see # http://www.gnu.org/licenses, or write to the Free Software Foundation, # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # # If you want to redistribute modifications to GROMACS, please # consider that scientific software is very special. Version # control is crucial - bugs must be traceable. We will be happy to # consider code for inclusion in the official distribution, but # derived work must not be called official GROMACS. Details are found # in the README & COPYING files - if they are missing, get the # official version at http://www.gromacs.org. # # To help us fund GROMACS development, we humbly ask that you cite # the research papers on the package. Check out http://www.gromacs.org. # Managing configuration for all kinds of BlueGene systems # BlueGene/L is probably obsolete, but does no harm # BlueGene/P needs testing, but hasn't changed # BlueGene/Q works message(STATUS "Configuring for BlueGene") if (${CMAKE_SYSTEM_NAME} STREQUAL "BlueGeneL") # BlueGene/L never had shared lib support. set(BUILD_SHARED_LIBS OFF CACHE BOOL "Shared libraries not compatible with BlueGene/L, disabled!" FORCE) endif() if (${CMAKE_SYSTEM_NAME} MATCHES "BlueGene.*static") # BlueGene/P claims shared library support, but Mark Abraham never # got it to work. BlueGene/Q claims it, but discourages it for # performance reasons. So unless information to the contrary ever # comes to light, we should not mess about giving the user options # that are useless when they've already selected a static toolchain. set(BUILD_SHARED_LIBS OFF CACHE BOOL "Static BlueGene build toolchain selected, so shared libraries are disabled" FORCE) endif() set(GMX_SOFTWARE_INVSQRT OFF CACHE BOOL "Do not use software reciprocal square root on BlueGene") set(GMX_X11 OFF CACHE BOOL "X11 not compatible with BlueGene, disabled!" FORCE) set(GMX_GPU OFF CACHE BOOL "Cannot do GPU acceleration on BlueGene" FORCE) # It is conceivable you could use ThreadMPI on BlueGene/Q by using its # facility to run lots of jobs on small chunks of the machine. You # certainly need proper MPI to use a whole chunk of the machine that # the scheduler will allocate. set(GMX_THREAD_MPI OFF CACHE BOOL "GROMACS bundled thread-MPI is not supported on BlueGene" FORCE) set(GMX_MPI ON CACHE BOOL "MPI is required on BlueGene" FORCE) # Access to /etc/passwd is not available on the back end of BlueGeneP # (at least), despite being detected by CMake. This can cause linker # warnings about harmless things in src/gromacs/utility/cstringutil.h. set(HAVE_PWD_H OFF) # The automatic testing for endianness does not work for the BlueGene cross-compiler set(GMX_FLOAT_FORMAT_IEEE754 1 CACHE INTERNAL "" FORCE) set(GMX_IEEE754_BIG_ENDIAN_BYTE_ORDER 1 CACHE INTERNAL "BlueGene has big-endian floating-point byte order (by default)" FORCE) set(GMX_IEEE754_BIG_ENDIAN_WORD_ORDER 1 CACHE INTERNAL "BlueGene has big-endian floating-point word order (by default)" FORCE)