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mengyan142

木虫 (小有名气)

[求助] AMBER11+AmberTool1.5安装出错( 显卡型号GTX680)

显卡GTX680, 系统CentOS6.2 ,显卡驱动NVIDIA-Linux-x86_64-295.49.run,CUDA Toolkit 4.0, 编译器l_fcompxe_2011.9.293、 l_ccompxe_2011.9.293
在安装CUDA加速的PMEMD这步,测试的时候提示:cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol

详细提示如下: ./test_amber_cuda.sh
Using default GPU_ID = -1
Using default PREC_MODEL = SPDP
Warning. DO_PARALLEL is set to mpirun -np 4. This environment variable is being unset.
cd cuda && make -k test.pmemd.cuda GPU_ID=-1 PREC_MODEL=SPDP
make[1]: Entering directory `/home/xmpu211/amber11/test/cuda'
------------------------------------
Running CUDA Implicit solvent tests.
  Precision Model = SPDP
           GPU_ID = -1
------------------------------------
cd trpcage/ && ./Run_md_trpcage -1 SPDP netcdf.mod
cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
  ./Run_md_trpcage:  Program error
make[1]: *** [test.pmemd.cuda.gb] Error 1
cd gb_ala3/ && ./Run.igb1_ntc1_min -1 SPDP netcdf.mod
cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
  ./Run.igb1_ntc1_min:  Program error
make[1]: *** [test.pmemd.cuda.gb.serial] Error 1
------------------------------------
Running CUDA Explicit solvent tests.
  Precision Model = SPDP
           GPU_ID = -1
------------------------------------
cd 4096wat/ && ./Run.pure_wat -1 SPDP netcdf.mod
cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
  ./Run.pure_wat:  Program error
make[1]: *** [test.pmemd.cuda.pme] Error 1
make[1]: Target `test.pmemd.cuda' not remade because of errors.
make[1]: Leaving directory `/home/xmpu211/amber11/test/cuda'
make: *** [test.pmemd.cuda] Error 2
make: Target `test.serial.cuda' not remade because of errors.
0 file comparisons passed
0 file comparisons failed
9 tests experienced errors
Test log file saved as logs/test_amber_cuda/2012-05-09_08-55-32.log
No test diffs to save!

结果图
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mengyan142

木虫 (小有名气)

引用回帖:
3楼: Originally posted by tenkou at 2012-05-10 11:32:42:
编译pmemd.cuda的过程中没有出错么?驱动安装之后显卡正确识别了么?

驱动安装之后显卡正确识别,我在网上查到说,AMBER11不支持680,唉,悲催啊。。。。
4楼2012-05-11 09:48:57
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tenkou

新虫 (初入文坛)


chaizhm: 金币+1, 谢谢~ 2012-05-10 11:44:25
编译pmemd.cuda的过程中没有出错么?驱动安装之后显卡正确识别了么?
3楼2012-05-10 11:32:42
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cndenis

新虫 (初入文坛)

★ ★ ★
zh1987hs: 金币+3, 谢谢 2012-05-13 16:55:33
引用回帖:
4楼: Originally posted by mengyan142 at 2012-05-11 09:48:57:
驱动安装之后显卡正确识别,我在网上查到说,AMBER11不支持680,唉,悲催啊。。。。

正解……你买了太先进的显卡了,680双精度/单精度比低于580,跑起来不一定有580快

再等几个月,应该就会支持了吧
5楼2012-05-13 16:15:45
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Ling198980

金虫 (正式写手)

【答案】应助回帖

驱动安装之后显卡正确识别,我在网上查到说,AMBER11不支持680
6楼2012-05-13 16:24:20
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