[AMBER] Compiling Amber16

From: Daniel G. Oblinsky <oblinsky.princeton.edu>
Date: Fri, 7 Oct 2016 15:21:06 +0000

I am trying to compile Amber16 using ./configure -cuda -openmp intel. I get this error

ifort -ip -O3 -no-prec-div -xHost -DCUDA -o /opt/amber16/bin/pmemd.cuda_SPFP gbl_constants.o gbl_datatypes.o state_info.o file_io_dat.o mdin_ctrl_dat.o mdin_emil_dat.o mdin_ewald_dat.o mdin_debugf_dat.o prmtop_dat.o inpcrd_dat.o dynamics_dat.o emil.o img.o nbips.o offload_allocation.o parallel_dat.o parallel.o gb_parallel.o pme_direct.o pme_recip_dat.o pme_slab_recip.o pme_blk_recip.o pme_slab_fft.o pme_blk_fft.o pme_fft_dat.o fft1d.o bspline.o pme_force.o pbc.o nb_pairlist.o gb_ene_hybrid.o nb_exclusions.o cit.o dynamics.o bonds.o angles.o dihedrals.o extra_pnts_nb14.o runmd.o loadbal.o shake.o prfs.o mol_list.o runmin.o constraints.o axis_optimize.o gb_ene.o veclib.o gb_force.o timers.o pmemd_lib.o runfiles.o file_io.o AmberNetcdf.o bintraj.o binrestart.o pmemd_clib.o pmemd.o random.o degcnt.o erfcfun.o nmr_calls.o nmr_lib.o get_cmdline.o master_setup.o pme_alltasks_setup.o pme_setup.o ene_frc_splines.o gb_alltasks_setup.o nextprmtop_section.o angles_ub.o dihedrals_imp.o cmap.o charmm.o charmm_gold.o fin
dmask.o remd.o multipmemd.o remd_exchg.o amd.o gamd.o ti.o gbsa.o barostats.o scaledMD.o constantph.o energy_records.o constantph_dat.o relaxmd.o sgld.o emap.o get_efield_energy.o \
      ./cuda/cuda.a -L/usr/local/cuda-7.5/lib64 -L/usr/local/cuda-7.5/lib -lcurand -lcufft -lcudart -lstdc++ -L/opt/amber16/lib /opt/amber16/lib/libnetcdff.a /opt/amber16/lib/libnetcdf.a -shared-intel -Wl,--start-group /opt/intel/mkl/lib/intel64/libmkl_intel_lp64.a /opt/intel/mkl/lib/intel64/libmkl_intel_thread.a /opt/intel/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread /opt/amber16/lib/libemil.a -lstdc++ nfe_lib.o nfe_setup.o nfe_colvar.o nfe_smd.o nfe_abmd.o ../../../AmberTools/src/lib/sys.a
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_openmp_get_num_procs':
vml_threading_templates_gen.c:(.text+0x9): undefined reference to `omp_get_num_procs'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_s_1i_1o':
vml_threading_templates_gen.c:(.text+0x190): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x1aa): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x1da): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x287): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x2b4): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x34f): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x460): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x477): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_s_2i_1o':
vml_threading_templates_gen.c:(.text+0x77b): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x795): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x7c5): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x881): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x8ae): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x958): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0xa77): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0xa8e): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_s_1i_2o':
vml_threading_templates_gen.c:(.text+0xdea): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0xe04): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0xe34): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0xef0): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0xf1d): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0xfc7): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x10e6): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x10fd): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_s_cs_2i_s_1o':
vml_threading_templates_gen.c:(.text+0x1446): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x1460): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x1490): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x154c): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x1579): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x1623): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x1744): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x175b): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_d_1i_1o':
vml_threading_templates_gen.c:(.text+0x1a3e): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x1a58): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x1a88): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x1b35): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x1b62): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x1bfd): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x1d0e): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x1d25): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_d_2i_1o':
vml_threading_templates_gen.c:(.text+0x2029): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x2043): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x2073): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x212f): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x215c): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x2206): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x2325): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x233c): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_d_1i_2o':
vml_threading_templates_gen.c:(.text+0x2698): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x26b2): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x26e2): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x279e): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x27cb): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x2875): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x2994): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x29ab): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_d_cd_2i_d_1o':
vml_threading_templates_gen.c:(.text+0x2cf4): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x2d0e): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x2d3e): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x2dfa): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x2e27): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x2ed1): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x2fef): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x3006): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_c_1i_1o':
vml_threading_templates_gen.c:(.text+0x32e3): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x32fd): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x332d): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x33da): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x3407): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x34a2): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x35b3): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x35ca): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_c_2i_1o':
vml_threading_templates_gen.c:(.text+0x38ce): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x38e8): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x3918): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x39d4): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x3a01): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x3aab): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x3bca): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x3be1): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_c_1i_2o':
vml_threading_templates_gen.c:(.text+0x3f3d): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x3f57): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x3f87): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x4043): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x4070): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x411a): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x4239): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x4250): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_c_cc_2i_c_1o':
vml_threading_templates_gen.c:(.text+0x4596): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x45b0): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x45e0): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x469c): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x46c9): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x4773): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x4884): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x489b): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_z_1i_1o':
vml_threading_templates_gen.c:(.text+0x4b7c): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x4b96): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x4bc6): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x4c73): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x4ca0): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x4d3b): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x4e4c): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x4e63): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_z_2i_1o':
vml_threading_templates_gen.c:(.text+0x5167): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x5181): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x51b1): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x526d): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x529a): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x5344): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x5463): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x547a): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_z_1i_2o':
vml_threading_templates_gen.c:(.text+0x57d6): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x57f0): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x5820): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x58dc): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x5909): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x59b3): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x5ad2): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x5ae9): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_z_cz_2i_z_1o':
vml_threading_templates_gen.c:(.text+0x5e47): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x5e61): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x5e91): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x5f4a): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x5f77): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x601e): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x612f): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x6146): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_c_1i_s_1o':
vml_threading_templates_gen.c:(.text+0x6433): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x644d): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x647d): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x652a): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x6557): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x65f2): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x6703): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x671a): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_z_1i_d_1o':
vml_threading_templates_gen.c:(.text+0x69ed): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x6a07): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x6a37): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x6ae4): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x6b11): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x6bac): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x6cbd): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x6cd4): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_s_1i_c_1o':
vml_threading_templates_gen.c:(.text+0x6fa7): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x6fc1): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x6ff1): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x709e): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x70cb): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x7166): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x7277): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x728e): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_d_1i_z_1o':
vml_threading_templates_gen.c:(.text+0x7561): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x757b): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x75ab): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x7658): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x7685): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x7720): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x7831): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x7848): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_s_6i_1o':
vml_threading_templates_gen.c:(.text+0x7bac): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x7bc6): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x7bf6): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x7ce2): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x7d0f): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x7de9): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x7f48): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x7f5f): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(vml_threading_templates.o): In function `mkl_vml_serv_threader_d_6i_1o':
vml_threading_templates_gen.c:(.text+0x835f): undefined reference to `__kmpc_global_thread_num'
vml_threading_templates_gen.c:(.text+0x8379): undefined reference to `__kmpc_ok_to_fork'
vml_threading_templates_gen.c:(.text+0x83a9): undefined reference to `__kmpc_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x8495): undefined reference to `__kmpc_end_serialized_parallel'
vml_threading_templates_gen.c:(.text+0x84c2): undefined reference to `__kmpc_push_num_threads'
vml_threading_templates_gen.c:(.text+0x859c): undefined reference to `__kmpc_fork_call'
vml_threading_templates_gen.c:(.text+0x86fb): undefined reference to `omp_get_thread_num'
vml_threading_templates_gen.c:(.text+0x8712): undefined reference to `omp_get_num_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(mkl_threading_patched.o): In function `mkl_serv_domain_get_max_threads':
mkl_threading.c:(.text+0x20a): undefined reference to `omp_get_num_procs'
mkl_threading.c:(.text+0x278): undefined reference to `omp_in_parallel'
mkl_threading.c:(.text+0x321): undefined reference to `omp_get_max_threads'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(mkl_threading_patched.o): In function `mkl_serv_get_dynamic':
mkl_threading.c:(.text+0x111a): undefined reference to `omp_get_num_procs'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(mkl_threading_patched.o): In function `mkl_serv_omp_in_parallel':
mkl_threading.c:(.text+0x2571): undefined reference to `omp_in_parallel'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(mkl_threading_patched.o): In function `mkl_serv_get_ncpus':
mkl_threading.c:(.text+0x260a): undefined reference to `omp_get_num_procs'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(mkl_threading_patched.o): In function `mkl_serv_get_ncorespercpu':
mkl_threading.c:(.text+0x32ca): undefined reference to `omp_get_num_procs'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(mkl_threading_patched.o): In function `mkl_serv_get_ht':
mkl_threading.c:(.text+0x3f8a): undefined reference to `omp_get_num_procs'
/opt/intel/mkl/lib/intel64/libmkl_intel_thread.a(mkl_threading_patched.o): In function `mkl_serv_get_nlogicalcores':
mkl_threading.c:(.text+0x4c3a): undefined reference to `omp_get_num_procs'
make[4]: *** [/opt/amber16/bin/pmemd.cuda_SPFP] Error 1
make[4]: Leaving directory `/opt/amber16/src/pmemd/src'
make[3]: *** [cuda_SPFP] Error 2
make[3]: Leaving directory `/opt/amber16/src/pmemd/src'
make[2]: *** [cuda_serial] Error 2
make[2]: Leaving directory `/opt/amber16/src/pmemd'
make[1]: *** [cuda_serial] Error 2
make[1]: Leaving directory `/opt/amber16/src'
make: *** [install] Error 2

Thanks,

Dan
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Received on Fri Oct 07 2016 - 08:30:02 PDT
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