a compile error of fix_gravity_omp.cpp in lammps-2jun12

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1

Hi all,

I try to build lammps-2Jun12 on Mac OS X with OpenMPI and OpenMP.
I employ:
i686-apple-darwin11-llvm-g++-4.2 (GCC) 4.2.1 (Based on Apple Inc. build 5658) (LLVM build 2336.9.00)

I got the following error message:
$ mpic++ -O2 -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized -fopenmp -DLAMMPS_GZIP -DLMP_USER_OMP -I../../lib/colvars -I../../lib/awpmd/ivutils/include -I../../lib/awpmd/systems/interact -I../../lib/atc -I../../lib/reax -I../../lib/poems -I../../lib/meam -DFFT_FFTW3 -I/Users/chibaf/openkim-api-v1.0.1/KIM_API -c fix_gravity_omp.cpp
fix_gravity_omp.cpp: In member function ‘virtual void LAMMPS_NS::FixGravityOMP::post_force(int)’:
fix_gravity_omp.cpp:48: error: ‘dt’ was not declared in this scope
fix_gravity_omp.cpp:48: error: ‘phigrad’ was not declared in this scope
fix_gravity_omp.cpp:50: error: ‘thetagrad’ was not declared in this scope
fix_gravity_omp.cpp:56: error: ‘dt’ was not declared in this scope
fix_gravity_omp.cpp:56: error: ‘thetagrad’ was not declared in this scope
fix_gravity_omp.cpp: At global scope:
fix_gravity_omp.cpp:41: warning: unused parameter ‘vflag’
fix_gravity_omp.cpp:111: warning: unused parameter ‘iloop’

But in the case with lammps-1Jun12, a compile error of fix_gravity_omp.cpp did't happened.
lammps-1Jun12 includes a same code of fix_gravity_omp.cpp.

What happened?

regards,
chibaf (Fumihiro Chiba)

2

The OMP version hasn't been updated yet with the new fix gravity
command. So just don't compile with the USER-OMP package
until that update is made, which will happen in the next patch.

Steve

3

The OMP version hasn't been updated yet with the new fix gravity
command. So just don't compile with the USER-OMP package
until that update is made, which will happen in the next patch.

or better yet. use the attached updated version of fix gravity,
or use LAMMPS-ICMS instead of regular LAMMPS, if you
want a version where the USER-OMP package works.

axel.

fix_gravity_omp.cpp.gz (1.16 KB)

4

Thank you, Axel, Steve.
The problem was fixed.

chibaf (Fumihiro CHIBA)