<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div>Am 23.09.2012 um 15:04 schrieb Z.Y.Qiu:</div><br class="Apple-interchange-newline"><blockquote type="cite">Hi£¬everyone. I have some problems about linking MPI softwares to LAMMPS.<div>1. I can link MPICH2-1.3.1 which is installed under my document on the LINUX service successfully.But when i link </div><div> openmpi which installed under root, i failed.</div>
<div>2.For mpich2-1.3.1, libmpich.a ,libpthread.a and libmpl.a are needed. If i want link openmpi to lammps ,which libs do i need.</div><div>i can find libmpi.a in lib directory.</div><div>3.what do i need to modify the content of Makefile in LAMMPS. The following is the content of Makefile in LAMMPS. </div>
<div> Words in red is the content i modified.</div></blockquote><div><br></div><div>This list is for MPICH, hence you should direct your question to the Open MPI list to get a suitable answer.</div><div><br></div><div>Nevertheless: using the correct mpic++ from the intended library you want to use will act as a wrapper and supply all necessary includes for headers and libraries automatically. So: use the mpic++ which your admin prepared and it should work instantly.</div><div><br></div><div>-- Reuti</div><div> </div><br><blockquote type="cite"><div>appreciating any help !!!!!!!!!!!</div><div><br></div><div><div># openmpi = Fedora Core 6, mpic++, OpenMPI-1.1, FFTW2</div><div><br></div><div>SHELL = /bin/sh</div>
<div><br></div><div># ---------------------------------------------------------------------</div><div># compiler/linker settings</div><div># specify flags and libraries needed for your compiler</div><div><br></div><div>CC =<span class="Apple-tab-span" style="white-space:pre"> </span>mpic++ <span class="Apple-tab-span" style="white-space:pre"> </span> <font color="#ff0000"> -I/public/software/mpi/openmpi1.4.2-intel/include \</font></div>
<div><font color="#ff0000"> -I/home/qzy/lammps/lmp/lib/reax \</font></div><div><font color="#ff0000"> -I/home/qzy/lammps/lmp/lib/meam</font></div><div>CCFLAGS =<span class="Apple-tab-span" style="white-space:pre"> </span>-O2 \ </div>
<div><span class="Apple-tab-span" style="white-space:pre"> </span>-funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized</div><div>DEPFLAGS =<span class="Apple-tab-span" style="white-space:pre"> </span>-M </div>
<div>LINK =<span class="Apple-tab-span" style="white-space:pre"> </span>mpic++ </div><div>LINKFLAGS =<span class="Apple-tab-span" style="white-space:pre"> </span>-O <font color="#ff0000"><span class="Apple-tab-span" style="white-space:pre"> </span>-L/public/software/mpi/openmpi1.4.2-intel/lib \ </font></div>
<div><font color="#ff0000"> -L/home/qzy/lammps/lmp/lib/reax \</font></div><div><font color="#ff0000"> -L/home/qzy/lammps/lmp/lib/meam</font></div><div>LIB = -lstdc++ <font color="#ff0000"> -lgfortran</font></div>
<div>ARCHIVE =<span class="Apple-tab-span" style="white-space:pre"> </span>ar</div><div>ARFLAGS =<span class="Apple-tab-span" style="white-space:pre"> </span>-rcsv</div><div>SIZE =<span class="Apple-tab-span" style="white-space:pre"> </span>size</div>
<div><br></div><div># ---------------------------------------------------------------------</div><div># LAMMPS-specific settings</div><div># specify settings for LAMMPS features you will use</div><div># if you change any -D setting, do full re-compile after "make clean"</div>
<div><br></div><div># LAMMPS ifdef settings, OPTIONAL</div><div># see possible settings in doc/Section_start.html#2_2 (step 4)</div><div><br></div><div>LMP_INC =<span class="Apple-tab-span" style="white-space:pre"> </span>-DLAMMPS_GZIP</div>
<div><br></div><div># MPI library, REQUIRED</div><div># see discussion in doc/Section_start.html#2_2 (step 5)</div><div># can point to dummy MPI library in src/STUBS as in Makefile.serial</div><div># INC = path for mpi.h, MPI compiler settings</div>
<div># PATH = path for MPI library</div><div># LIB = name of MPI library</div><div><br></div><div>MPI_INC = </div><div>MPI_PATH = </div><div>MPI_LIB =<span class="Apple-tab-span" style="white-space:pre"> </span></div>
<div><br></div><div># FFT library, OPTIONAL</div><div># see discussion in doc/Section_start.html#2_2 (step 6)</div><div># can be left blank to use provided KISS FFT library</div><div># INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings</div>
<div># PATH = path for FFT library</div><div># LIB = name of FFT library</div><div><br></div><div>FFT_INC = -DFFT_FFTW</div><div>FFT_PATH = </div><div>FFT_LIB =<span class="Apple-tab-span" style="white-space:pre"> </span>-lfftw</div>
<div><br></div><div># JPEG library, OPTIONAL</div><div># see discussion in doc/Section_start.html#2_2 (step 7)</div><div># only needed if -DLAMMPS_JPEG listed with LMP_INC</div><div># INC = path for jpeglib.h</div><div># PATH = path for JPEG library</div>
<div># LIB = name of JPEG library</div><div><br></div><div>JPG_INC = </div><div>JPG_PATH = <span class="Apple-tab-span" style="white-space:pre"> </span></div><div>JPG_LIB =<span class="Apple-tab-span" style="white-space:pre"> </span></div>
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