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<div><div><p class="MsoNormal"><font face="Times New Roman"><span style="font-size: 11pt;">Thanks Mark</span><span lang="ZH-CN" style="font-size: 11pt;">，</span><span style="font-size: 11pt;"><o:p></o:p></span></font></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><font face="Times New Roman"> </font></span></p>
<p class="MsoNormal"><font face="Times New Roman"><span style="line-height: 1.6;"> </span><span style="font-size:11.0pt">I tried to download your
modified nbnxn_cuda.cu file from <a href="https://gerrit.gromacs.org/c/7538/">https://gerrit.gromacs.org/c/7538/</a>
, but also have same error (</span><span style="font-size: 14.6667px; line-height: 23.4667px;">2>E:/User-software/gromacs-2016.1/gromacs-2016.1/src\gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_fermi.cuh(406): error : identifier "c_oneTwelveth" is undefined in device code</span></font></p><p class="MsoNormal"><span style="font-size: 14.6667px; line-height: 23.4667px;"><font face="Times New Roman">2></font></span></p><p class="MsoNormal"><span style="font-size: 14.6667px; line-height: 23.4667px;"><font face="Times New Roman">2>E:/User-software/gromacs-2016.1/gromacs-2016.1/src\gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_fermi.cuh(243): error : identifier "c_oneSixth" is undefined in device code</font></span></p><p class="MsoNormal"><span style="font-size: 14.6667px; line-height: 23.4667px;"><font face="Times New Roman">2></font></span></p><p class="MsoNormal"><span style="font-size: 14.6667px; line-height: 23.4667px;"><font face="Times New Roman">2>Error limit reached.</font></span></p><p class="MsoNormal"><span style="font-size: 14.6667px; line-height: 23.4667px;"><font face="Times New Roman">2>100 errors detected in the compilation of "C:/Users/Mr-Liu/AppData/Local/Temp/tmpxft_00003198_00000000-52_nbnxn_cuda.compute_20.cpp2.i".</font></span></p><p class="MsoNormal"><span style="font-size: 14.6667px; line-height: 23.4667px;"><font face="Times New Roman">2>Compilation terminated.</font></span></p><p class="MsoNormal"><span style="font-size: 14.6667px; line-height: 23.4667px;"><font face="Times New Roman">2>CUSTOMBUILD : nvcc warning : The 'compute_20', 'sm_20', and 'sm_21' architectures are deprecated, and may be removed in a future release (Use -Wno-deprecated-gpu-targets to suppress warning).</font></span></p><p class="MsoNormal"><font face="Times New Roman"><span style="font-size: 14.6667px; line-height: 23.4667px;">2>nbnxn_cuda.cu</span><span style="font-size:11.0pt">)</span></font></p><p class="MsoNormal"><span style="font-size: 11pt; line-height: 1.6;"><font face="Times New Roman"><br></font></span></p><p class="MsoNormal"><font face="Times New Roman"><span style="font-size: 11pt; line-height: 1.6;"> </span><span style="line-height: 1.6;"> </span><span style="font-size: 11pt; line-height: 1.6;">Additionally, I added some words, like “-Xcompiler “/wd4819â€â€
at CUDA_NVCC_FLAGS when I use CMAKE GUI in order to avoid some warnings, like follows:</span></font></p><p class="MsoNormal"><span style="font-size:11.0pt"><font face="Times New Roman"> <o:p></o:p></font></span></p></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h : warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h(849): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h(1787): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h(2637): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h(3492): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h(4431): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h(5345): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h(6252): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h(7142): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\math_functions.h(7956): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\device_functions.h : warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\device_functions.h(774): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\device_functions.h(1618): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\device_double_functions.h : warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\sm_20_intrinsics.h : warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">2>c:\program files\nvidia gpu computing toolkit\cuda\v8.0\include\sm_20_intrinsics.h(943): warning C4819: The file contains a character that cannot be represented in the current code page (936). Save the file in Unicode format to prevent data loss</font></div><div><font face="Times New Roman">3>resource-division.cpp</font></div></div>
<div><font face="Times New Roman"> </font></div><div><font face="Times New Roman"> I don't know whether <span style="line-height: 22.4px;">my operation</span><span style="line-height: 22.4px;"> </span><span style="line-height: 1.6;">is correct?? Besides, I built windows gromacs is based on this website mentioned (</span>https://www.researchgate.net/post/I_need_to_install_GROMACS_on_windows_10_64_bit_system_Can_anyone_help_me_with_a_step_by_step_tutorial<span style="line-height: 1.6;">). My GPU is GTX950m belongs to notebook, which is not support "sm_20"</span></font></div><div><span style="line-height: 1.6;"><font face="Times New Roman"><br></font></span></div><div><span style="line-height: 1.6;"><font face="Times New Roman">Thanks again,</font></span></div><div><font face="Times New Roman">Yujie Liu</font></div>
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