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[求助]
GROMACS安装时总是出现configure: error: Unknown FFT library，请问是什么原因
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我首先安装了安装cygwin没问题。然后又安装fftw-3.3.1 步骤如下./configure --enable-float --enable-threads --enable-sse --prefix=/home/administrator/fftw-3.3.1 然后make和make install,接着设置 export CPPFLAGS=-I/home/administrator/fftw-3.3.1/ include export LDFLAGS=-L/home/administrator/fftw-3.3.1/ /lib 运行后也没问题 但安装gromacs-4.5.5 ./configure --with-fft=fftw-3.3.1 --prefix=/home/administrator/gromacs-4.5.5 运行到最后总是提示configure: error: Unknown FFT library 运行make时 Administrator@RYKUP8XHWIYQHN5 /home/gromacs-4.5.5 $ make make: *** 没有指明目标并且找不到 makefile。 停止。 请问专家该怎么办？ 整个运行过程如下 $ ./configure --with-fft=fftw-3.3.1 --prefix=/home/administrator/gromacs-4.5.5 checking build system type... i686-pc-cygwin checking host system type... i686-pc-cygwin checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a thread-safe mkdir -p... /usr/bin/mkdir -p checking for gawk... gawk checking whether make sets $(MAKE)... yes checking how to create a ustar tar archive... gnutar checking for cc... cc checking for C compiler default output file name... a.exe checking whether the C compiler works... yes checking whether we are cross compiling... no checking for suffix of executables... .exe checking for suffix of object files... o checking whether we are using the GNU C compiler... yes checking whether cc accepts -g... yes checking for cc option to accept ISO C89... none needed checking for style of include used by make... GNU checking dependency style of cc... gcc3 checking dependency style of cc... gcc3 checking how to run the C preprocessor... cc -E checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking whether ln -s works... yes checking whether cc accepts -O3... yes checking whether cc accepts -msse2... yes checking whether cc accepts -funroll-all-loops... yes checking whether cc accepts -std=gnu99... yes checking whether cc accepts -fexcess-precision=fast... yes checking whether cc accepts -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -msse2 -funroll-all-loops -std=gnu99 -fexcess-precision=fast... yes checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking for unistd.h... (cached) yes checking sys/time.h usability... yes checking sys/time.h presence... yes checking for sys/time.h... yes checking sched.h usability... yes checking sched.h presence... yes checking for sched.h... yes checking for sysconf... yes checking for the pthreads library -lpthreads... no checking whether pthreads work without any flags... yes checking for joinable pthread attribute... PTHREAD_CREATE_JOINABLE checking if more special flags are required for pthreads... no checking for cc_r... cc checking if atomic operations are supported... yes checking if pthread_setaffinity_np is available... no checking whether byte ordering is bigendian... no checking that size_t can hold pointers... yes checking for SIGUSR1... yes checking for pipes... yes checking floating-point format... IEEE754 (little-endian byte and word order) checking whether ln -s works... yes checking whether make sets $(MAKE)... (cached) yes checking for a sed that does not truncate output... /usr/bin/sed checking for ld used by cc ... /usr/i686-pc-cygwin/bin/ld.exe checking if the linker (/usr/i686-pc-cygwin/bin/ld.exe) is GNU ld... yes checking for /usr/i686-pc-cygwin/bin/ld.exe option to reload object files... -r checking for BSD-compatible nm... /usr/bin/nm -B checking how to recognise dependent libraries... file_magic ^x86 archive import|^x86 DLL checking for dlltool... dlltool checking for as... as checking for objdump... objdump checking dlfcn.h usability... yes checking dlfcn.h presence... yes checking for dlfcn.h... yes checking for g++... g++ checking whether we are using the GNU C++ compiler... yes checking whether g++ accepts -g... yes checking dependency style of g++... gcc3 checking how to run the C++ preprocessor... g++ -E checking the maximum length of command line arguments... 8192 checking command to parse /usr/bin/nm -B output from cc object... ok checking for objdir... .libs checking for ar... ar checking for ranlib... ranlib checking for strip... strip checking if cc supports -fno-rtti -fno-exceptions... no checking for cc option to produce PIC... checking if cc static flag -static works... yes checking if cc supports -c -o file.o... yes checking whether the cc linker (/usr/i686-pc-cygwin/bin/ld.exe) supports shared libraries... yes checking whether -lc should be explicitly linked in... yes checking dynamic linker characteristics... Win32 ld.exe checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking whether a program can dlopen itself... no checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes configure: creating libtool appending configuration tag "CXX" to libtool checking for ld used by g++... /usr/i686-pc-cygwin/bin/ld.exe checking if the linker (/usr/i686-pc-cygwin/bin/ld.exe) is GNU ld... yes checking whether the g++ linker (/usr/i686-pc-cygwin/bin/ld.exe) supports shared libraries... yes checking for g++ option to produce PIC... checking if g++ static flag -static works... yes checking if g++ supports -c -o file.o... yes checking whether the g++ linker (/usr/i686-pc-cygwin/bin/ld.exe) supports shared libraries... yes checking dynamic linker characteristics... Win32 ld.exe checking how to hardcode library paths into programs... immediate appending configuration tag "F77" to libtool checking for special C compiler options needed for large files... no checking for _FILE_OFFSET_BITS value needed for large files... no checking for _LARGEFILE_SOURCE value needed for large files... no checking for sqrt in -lm... yes configure: error: Unknown FFT library Administrator@RYKUP8XHWIYQHN5 /home/gromacs-4.5.5 $ make make: *** 没有指明目标并且找不到 makefile。 停止。 |
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jawang
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| http://www.gromacs.org/Downloads ... tructions#Using_MPI 。这个是Gromacs网站的一个安装说明，耐心的把它读完，安装应该没有问题的，我的就是按这个安装的。 |
5楼2012-03-27 13:12:21
送鲜花一朵 |
我现在安装时又遇到这个问题： For fftw, I use the following configure, cd fftw-3.3.1 ./configure --enable-float --enable-sse --enable-shared --prefix=/home/administrator/fftw make make install 没出现错误信息 For gromacs, I use the following configure, cd .. cd gromacs-4.5.5 $ ./configure --prefix=/home/administrator/gromacs --disable-threads --enable-shared --without-xml LDFLAGS='-L/home/administrator/fftw/lib/' CPPFLAGS='-I/home/administrator/fftw/include/' make the error is following: /bin/sh ../../../libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../../src -I/usr/include/libxml2 -I../../../include -I/home/administrator/fftw/include/ -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -msse2 -funroll-all-loops -std=gnu99 -fexcess-precision=fast -MT dorg2r.lo -MD -MP -MF .deps/dorg2r.Tpo -c -o dorg2r.lo dorg2r.c Makefile:529: recipe for target `dorg2r.lo' failed make[4]: *** [dorg2r.lo] Interrupt Makefile:599: recipe for target `all-recursive' failed make[3]: *** [all-recursive] Interrupt Makefile:302: recipe for target `all-recursive' failed make[2]: *** [all-recursive] Interrupt Makefile:238: recipe for target `all' failed make[1]: *** [all] Interrupt Makefile:347: recipe for target `all-recursive' failed make: *** [all-recursive] Interrupt make install 又出现这样的问题: collect2: ld returned 1 exit status Makefile:459: recipe for target `libgmxpreprocess.la' failed make[2]: *** [libgmxpreprocess.la] Error 1 make[2]: 离开目录“/home/Administrator/gromacs-4.5.5/src/kernel” Makefile:302: recipe for target `install-recursive' failed make[1]: *** [install-recursive] Error 1 make[1]: 离开目录“/home/Administrator/gromacs-4.5.5/src” Makefile:347: recipe for target `install-recursive' failed make: *** [install-recursive] Error 1 查看/home/Administrator/gromacs/bin文件夹中只有两个文件 cyggmx-6.dll和cyggmx-6.dll 请教高手这是什么原因 我用的是windows 7，处理器是4核的 |
7楼2012-03-29 21:22:15
8楼2012-03-30 08:38:08
andylau286
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9楼2012-03-30 16:21:51
10楼2012-04-02 18:54:46