Seawulf Items Needed

List of Items needed

• python 2.7 (create module)
  • numpy
  • matplotlib
  • scipy
  • ipython
  • cython
  • mpi4py
• X11 forwarding
• Increase GPU queue max walltime to 12hrs

AMBER + CUDA7.5 and GCC compilers works AMBER + CUDA7.5 intel compilers see below fails module loaded

1) torque/6.0.2                    3) intel/mkl/64/2017/0.098         5) cuda75/toolkit/7.5.18
 2) intel/compiler/64/2017/17.0.0   4) intel/mpi/64/2017/0.098

/cm/shared/apps/cuda75/toolkit/7.5.18/bin/nvcc -c -gencode arch=compute_20,code=sm_20 -gencode arch=compute_30,code=sm_30 -gencode arch=compute_50,code=sm_50 -gencode arch=compute_52,code=sm_52 -gencode arch=compute_53,code=sm_53 -o core_kernels.o core_kernels.cu In file included from /cm/shared/apps/cuda75/toolkit/7.5.18/bin/..//include/driver_types.h:70:0,

                from /cm/shared/apps/cuda75/toolkit/7.5.18/bin/..//include/builtin_types.h:59,
                from /cm/shared/apps/cuda75/toolkit/7.5.18/bin/..//include/cuda_runtime.h:84,
                from <command-line>:0:

/cm/shared/apps/intel/compilers_and_libraries/2017.0.098/compiler/include/limits.h:36:54: error: missing binary operator before token "("

    defined(__has_include_next) && __has_include_next(<limits.h>)
                                                     ^

In file included from /cm/shared/apps/cuda75/toolkit/7.5.18/bin/..//include/math_functions.h:8791:0,

                from /cm/shared/apps/cuda75/toolkit/7.5.18/bin/..//include/common_functions.h:224,
                from /cm/shared/apps/cuda75/toolkit/7.5.18/bin/..//include/cuda_runtime.h:112,
                from <command-line>:0:

/cm/shared/apps/intel/compilers_and_libraries/2017.0.098/compiler/include/math.h:108:3: error: #error "This Intel <math.h> is for use with only the Intel compilers!"

# error "This Intel <math.h> is for use with only the Intel compilers!"