Hi,
I receive the error below when compiling LAMMPS 1Jul11 with Intel 12.0.4, CUDA 4.0.17, and OpenMPI 1.4.3 on CentOS 5.4. I poked around in the source for a function signature for virial_compute() but found only a function that takes two ints: "void ComputePressure::virial_compute(int n, int ndiag)" in the compute_pressure.cpp file. Where should the virial_compute() function be defined? Or is there some overloading convention I am not familiar with that should allow this function to be called with no parameters?
make[1]: Entering directory `/gpfs/runtime/opt/lammps/1Jul11/src/lammps-1Jul11/src/Obj_ccv'
mpic++ -O3 -fno-alias -ip -unroll0 -DLAMMPS_GZIP -I../../lib/awpmd/ivutils/include -I../../lib/awpmd/systems/interact -I../../lib/atc -I../../lib/reax -I../../lib/poems -I../../lib/meam -DFFT_FFTW -I/gpfs/runtime/opt/fftw/2.1.5/include -c pair_cg_cmm_coul_msm.cpp
pair_cg_cmm_coul_msm.h(42): warning #1125: function "LAMMPS_NS::Pair::extract(char *, int &)" is hidden by "LAMMPS_NS::PairCGCMMCoulMSM::extract" -- virtual function override intended?
void *extract(char *str);
^
pair_cg_cmm_coul_msm.cpp(250): error: identifier "virial_compute" is undefined
if (vflag_fdotr) virial_compute();
Thanks,
Mark Howison
Application Scientist
Center for Computation & Visualization
Brown University