Dear Lammps developer,
I’m trying to install the new version of lammps on teragrid steele (@purdue) cluster (they only have the 09 version there, but we’ll need some new features added later).
I feed the makefile with paths for the mpi library and fftw library, and I got these warnings when I compile it:
“/opt/intel/Compiler/11.1/038/lib/intel64/libimf.so
: warning: warning: feupdateenv is not implemented and will always fail
ld: warning: libmpich.so.1.1, needed by /apps/rhel5/fftw-2.1.5/mpich2-intel/lib/libsfftw.so, may conflict with libmpich.so.1.2
size …/lmp_linux”
I still got the executable file lmp_linux in the end. but I wonder what do these warnings mean? will they give me the runtime errors?
btw, I’m not sure why the -lfftw compiling option didn’t work there, I changed to -lsfftw, Would you please give me some insights about the differences between these two, or direct me to some references?
Thanks a lot.
Jihang
Dear Axel,
It seems my message didn’t go through the system. Would you please help me to post in the mailing list?
Any suggestions you may have about this problem are always appreciated.
thanks.
Jihang
Dear Lammps developer,
I'm trying to install the new version of lammps on teragrid steele (@purdue)
cluster (they only have the 09 version there, but we'll need some new
features added later).
I feed the makefile with paths for the mpi library and fftw library, and I
got these warnings when I compile it:
"/opt/intel/Compiler/11.1/038/lib/intel64/libimf.so
: warning: warning: feupdateenv is not implemented and will always fail
you can ignore that.
ld: warning: libmpich.so.1.1, needed by
/apps/rhel5/fftw-2.1.5/mpich2-intel/lib/libsfftw.so, may conflict with
libmpich.so.1.2
size ../lmp_linux"
isn't there a non-mpich version of fftw?
I still got the executable file lmp_linux in the end. but I wonder what do
these warnings mean? will they give me the runtime errors?
btw, I'm not sure why the -lfftw compiling option didn't work there, I
changed to -lsfftw, Would you please give me some insights about the
using sfftw is not going to work. there are some hacks, but it
is probably easiest to compile fftw-2.1.5 for yourself, configure
it with --prefix=${HOME}/fftw-2.1.5 --disable-shared
and then change the makefile to use that path.
no need to compile with intel and no need for fortran support
in fftw (which is causing all the trouble).
cheers,
axel.
Hi, Axel, Thanks for your prompt reply.
I don’t find the serial version of fftw-2.1.5 there. All the libs are “intel-impi; mpich2-gcc; mpich2-intel; mpich2-pgi; openmpi-gcc”.
Do you think I can use any of them? or I’ll just compile the fftw2.1.5 under my home directory myself.
btw, is it possible to use fftw-3.2.1 for lammps? It seems to be the new version.
Jihang
Hi, Axel, Thanks for your prompt reply.
I don't find the serial version of fftw-2.1.5 there. All the libs are
"intel-impi; mpich2-gcc; mpich2-intel; mpich2-pgi; openmpi-gcc".
Do you think I can use any of them? or I'll just compile the fftw2.1.5 under
most likely you cannot use them. my comments on the
software installation setup on that machine are not printable...
my home directory myself.
btw, is it possible to use fftw-3.2.1 for lammps? It seems to be the new
version.
no. RTFM. fftw-3 is not compatible with fftw-2.
this is not a real problem. also there is no need to
compile with the intel or pgi compiler; but again,
my comments on that are not printable...
axel.
I would download the current version of LAMMPS - it is easier
to install than older versions like 2009.
Steve
Thanks both of you for suggestions.
I’m using the latest version (march31,2010).
With Axel’s suggestion, I installed the fftw-2.1.5 library on my own directory and compiled lammps without any problems (no warnings or anything at all this time). However, when I try to run it, using “mpirun -v -machinefile $PBS_NODEFILE -np 16 ./lmp_linux < in.graph > log.Test”
I got the error : “./lmp_linux: error while loading shared libraries: libmpich.so.1.2: cannot open shared object file: No such file or directory”.
Do you have any insights about this problem? I appreciate all you help.
Jihang
Normally when you build MPI, it only builds a static lib (libmpich.a) and
not a dynamic one (libmpich.so). You can tell the MPICH build to build
the dynamic lib, but you shouldn't need to. The LAMMPS makefiles
don't look for it, unless you changed them somehow.
Steve