ACES III

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ACES III

ACES III is the result of the reimplementation of ACES II (Florida) for efficient parallel execution. It has been installed on fgate and venom.

List of features and documentations can be found at the program home page[1].

Compiling ACES III on fgate

The source code is located at /share/apps/ACESII

A working system was produced using the following tools

• Intel Fortran compiler version 11.0 (/opt/intel/Compiler/11.0/081/bin/intel64/ifort)
• GNU C/C++ compiler version 4.3.2 (/share/apps/gcc-4.3.2/bin/ )
• OPENMPI version 1.3 built from source using the above Fortran and C compilers (/export/apps/openmpi_ifort)
• Intel MKL library version 11.0 (/opt/intel/Compiler/11.0/081/mkl/lib/em64t)

The relevant Makefiles (/share/apps/ACESII/Makefiles/GNUmakefile, /share/apps/ACESII/chssi.src/GNUmakefile.chssi) have been modified to build static executables using the above tools.

1. Set PATH and LD_LIBRARY_PATH:
   1. export PATH=/share/apps/gcc-4.3.2/bin:/opt/intel/Compiler/11.0/081/bin/intel64:${PATH}
   2. export LD_LIBRARY_PATH=/share/apps/gcc-4.3.2/lib64:/opt/intel/Compiler/11.0/081/lib/intel64:${LD_LIBRARY_PATH}
2. Build OPENMPI (optional)
   1. ./configure --prefix=/export/apps/openmpi_ifort --enable-static --without-numa F77=ifort FC=ifort
   2. make
   3. make install
3. Add OPENMPI directories to environment
   1. export PATH=/share/apps/openmpi_ifort/bin:${PATH}
   2. export LD_LIBRARY_PATH=/share/apps/openmpi_ifort/lib:${LD_LIBRARY_PATH}
4. Build ACES III
   1. cd /export/apps/ACESII
   2. make distclean
   3. ./xprep -f
   4. make

Compiling ACES III on venom

• source code on /venom/share/apps/ACESII
• OPENMPI on /venom/share/apps/openmpi_ifort
• Same tools as fgate, except that the native GNU C/C++ compiler (version 4.1.2) can be safely used for building OPENMPI and ACES III.

--malagoli 17:22, 24 April 2009 (EDT)