Did you apply AmberTools fix? You have to apply ambertools fix before recompile pmemd.cuda.
--Farid
________________________________________
From: c00jsw00.nchc.narl.org.tw [c00jsw00.nchc.narl.org.tw]
Sent: Tuesday, August 23, 2011 12:01 AM
To: amber
Subject: [AMBER] Error: Amber 11 and CUDA4.0
Dear all,
I have installed the bugfix 17. But I still can't compiler
the PMEMD.CUDA . Could you tell me how to fix the problem?
Thanks
YT
Error:
ifort -ip -O3 -no-prec-div -xHost -DCUDA -o pmemd.cuda gbl_constants.o gbl_datatypes.o state_info.o file_io_dat.o mdin_ctrl_dat.o mdin_ewald_dat.o mdin_debugf_dat.o prmtop_dat.o inpcrd_dat.o dynamics_dat.o img.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 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 bintraj.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 -L/usr/local/cuda/lib64 -L/usr/local/cuda/lib -lcufft -lcudart ./cuda/cuda.a /opt/amber11/lib/libnetcdf.a -shared-intel
./cuda/cuda.a(gpu.o): In function `gpu_amrset_':
gpu.cpp:(.text+0x196a9): undefined reference to `curandCreateGenerator'
gpu.cpp:(.text+0x196bf): undefined reference to `curandSetPseudoRandomGeneratorSeed'
./cuda/cuda.a(kForcesUpdate.o): In function `kRandom':
tmpxft_000048a8_00000000-4_kForcesUpdate.compute_13.cudafe1.cpp:(.text+0x32dd): undefined reference to `curandGenerateNormalDouble'
make[2]: *** [pmemd.cuda] Error 1
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Received on Mon Aug 22 2011 - 22:30:03 PDT
