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SunnyRain0.0金蟲 (正式寫手)
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[求助]
Gromacs4.6.3安裝出錯(cuò)
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這是我安裝Gromacs的過程: 1、安裝CMake tar -xzvf cmake-2.8.11.2.tar.gz ./configure make make install 2、安裝fftw tar -xzvf fftw-3.3.3.tar.gz ./configure --prefix=/opt/fftw-3.3.3-sse2 --enable-shared --enable-sse2 make -j 8 (多核編譯) make install 3、安裝openmpi tar -xzvf openmpi-1.6.5.tar.gz ./configure make make install 4、安裝Gromacs tar -xzvf gromacs-4.6.3.tar.gz CMAKE_PREFIX_PATH=/opt/fftw-3.3.3-sse2 CC=icc FC=ifort F77=ifort CXX=icpc LDFLAGS="-limf -lm" cmake .. -DCMAKE_INSTALL_PREFIX=/opt/gromacs-4.6.3 make -j 8 make install 進(jìn)行到紅色部分時(shí)出錯(cuò)如下 [msi@localhost build]$ CMAKE_PREFIX_PATH=/opt/fftw-3.3.3 CC=icc FC=ifort F77=ifort CXX=icpc LDFLAGS="-limf -lm" cmake .. -DCMAKE_INSTALL_PREFIX=/opt/gromacs-4.6.3 -- No compatible CUDA toolkit found (v3.2+), disabling native GPU acceleration -- Check if the system is big endian -- Searching 16 bit integer CMake Error at /usr/local/share/cmake-2.8/Modules/TestBigEndian.cmake:44 (message): no suitable type found Call Stack (most recent call first): CMakeLists.txt:462 (test_big_endian) -- Configuring incomplete, errors occurred! 本人第一次安裝Gromacs,求高手指點(diǎn)啊 [ Last edited by SunnyRain0.0 on 2013-8-30 at 19:31 ] |

金蟲 (正式寫手)

金蟲 (小有名氣)
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