[gmx-users] another error compiling 4.6.2 in GPU cluster

Albert mailmd2011 at gmail.com
Thu Jul 4 11:42:55 CEST 2013


Hello:

  I am using the following configuration to compile gromacs-4.6.2 in a 
GPU cluster:



CC=icc FC=ifort F77=ifort CXX=icpc 
CMAKE_PREFIX_PATH=/export/intel/cmkl/include/fftw:/export/mpi/mvapich2-1.8-rhes6 
cmake .. -DGMX_MPI=ON 
-DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs -DGMX_GPU=ON 
-DBUILD_SHARED_LIBS=OFF -DCUDA_TOOLKIT_ROOT_DIR=/export/cuda5.0/cuda 
-DFFTWF_LIBRARY=/home/albert/install/fftw-3.3.3/lib/libfftw3f.so

It was finished without any errors, But when I type

make -j4

it stopped at 66%:


clared but never referenced
   static const double* sy_const[] = {

/home/albert/install/source/gromacs-4.6.2/include/maths.h(189): remark 
#177: function "gmx_numzero" was declared but never referenced
   gmx_numzero(double a)
   ^
/home/albert/install/source/gromacs-4.6.2/include/maths.h(196): remark 
#177: function "gmx_log2" was declared but never referenced
   gmx_log2(real x)
   ^
/home/albert/install/source/gromacs-4.6.2/include/vec.h(849): remark 
#177: function "calc_lll" was declared but never referenced
   static void calc_lll(rvec box, rvec lll)
               ^
/home/albert/install/source/gromacs-4.6.2/include/vec.h(880): remark 
#177: function "m_rveccopy" was declared but never referenced
   static void m_rveccopy(int dim, rvec *a, rvec *b)
               ^
/home/albert/install/source/gromacs-4.6.2/include/vec.h(892): remark 
#177: function "matrix_convert" was declared but never referenced
   static void matrix_convert(matrix box, rvec vec, rvec angle)
               ^
/home/albert/install/source/gromacs-4.6.2/include/grompp.h(155): remark 
#177: variable "ds" was declared but never referenced
   static const char *ds[d_maxdir+1] = {

Linking CXX static library libmd_mpi.a
[ 66%] Built target md
make: *** [all] Error 2

thank you very much

Albert



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