Opened 13 years ago

Closed 13 years ago

#168 closed task (wontfix)

Rebuild gromacs/fftw for mpich2

Reported by: skylar Owned by: skylar
Priority: major Milestone: Software installation
Component: Version:
Keywords: Cc:
Blocked By: Blocking:
Estimated Hours: Total Hours: 0

Description

look at #40 for configure options

Change History (7)

comment:1 Changed 13 years ago by skylar

  • Status changed from new to assigned

comment:2 Changed 13 years ago by skylar

fftw version should be 3.1.2

comment:3 Changed 13 years ago by skylar

mpd not working

mpiexec: unable to start all procs; may have invalid machine names

remaining specified hosts:

10.4.0.10 (node010) 10.4.0.11 (node011)

comment:4 Changed 13 years ago by skylar

might have screwed up configure; grompp won't work at all now

trying reconfigure

comment:5 Changed 13 years ago by skylar

new gromacs configure line:

./configure --enable-mpi --disable-threads --with-fft=fftw3 --with-gnu-ld --prefix=/cluster/software/gromacs-3.3.3 CFLAGS="-I/cluster/software/fftw/include/ -I/cluster/software/mpich2/include" LDFLAGS="-L/cluster/software/fftw/lib/ -L/cluster/software/mpich2/lib"

comment:6 Changed 13 years ago by skylar

need to rebuild fftw now too

comment:7 Changed 13 years ago by skylar

  • Resolution set to wontfix
  • Status changed from assigned to closed

actually rebuilt for openmpi

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