You were using ifort before but now you seem to have switched to gfortran was there a reason for this change?
You have to make sure you make clean in both src and AmberTools/src and then rerun configure if you are switching compilers.
All the best
Ross
On Aug 23, 2011, at 13:27, c00jsw00.nchc.narl.org.tw wrote:
> Dear all,
> After installing the AmberTool bugfix, the new error still errored.
>
> "error"
> gfortran -O3 -mtune=generic -DCUDA -c runfiles.f90
> cpp -traditional -P -DBINTRAJ -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC -DPUBFFT -DCUDA pme_force.fpp pme_force.f90
> pme_force.fpp:745: error: #else after #else
> pme_force.fpp:253: error: the conditional began here
> pme_force.fpp:179: error: unterminated #ifdef
> make[2]: *** [pme_force.o] Error 1
> make[2]: Leaving directory `/opt/amber11/src/pmemd/src'
> make[1]: *** [cuda] Error 2
> make[1]: Leaving directory `/opt/amber11/src/pmemd'
> make: *** [cuda] Error 2
>
> -----Original message-----
> From:Ross Walker <rosscwalker.gmail.com>
> To:c00jsw00.nchc.narl.org.tw <c00jsw00.nchc.narl.org.tw>,AMBER Mailing List <amber.ambermd.org>
> Date:Tue, 23 Aug 2011 13:07:05 +0800
> Subject:Re: [AMBER] Error: Amber 11 and CUDA4.0
>
> Apply the bugfixes for ambertools 1.5 as well as stated in the patch instructions.
>
>
>
> On Aug 23, 2011, at 13:01, c00jsw00.nchc.narl.org.tw wrote:
>
>>
>> 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-int
el
>> ./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
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Aug 22 2011 - 23:00:02 PDT
