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liangjun44

至尊木虫 (著名写手)

[求助] gromacs安装出错求助

大家好,请教一下,安装gromacs时,进行到make阶段,出现了以下的错误,应该怎样解决呢?谢谢~

numa_malloc.c:117: error: parse error before "Processor"
numa_malloc.c:118: error: parse error before "ProcNumber"
numa_malloc.c: In function `InitNumaHeapSupport':
numa_malloc.c:222: warning: dereferencing type-punned pointer will break strict-aliasing rules
numa_malloc.c: In function `ReturnHeapHandle':
numa_malloc.c:246: error: `PROCESSOR_NUMBER' undeclared (first use in this function)
numa_malloc.c:246: error: (Each undeclared identifier is reported only once
numa_malloc.c:246: error: for each function it appears in.)
numa_malloc.c:246: error: parse error before "CurrentProcessorNumber"
numa_malloc.c:285: error: `CurrentProcessorNumber' undeclared (first use in this function)
numa_malloc.c:324: warning: implicit declaration of function `HeapSetInformation'
Makefile:332: recipe for target `numa_malloc.lo' failed
make[4]: *** [numa_malloc.lo] Error 1
make[4]: 离开目录“/home/Administrator/gromacs-4.5.5/src/gmxlib/thread_mpi”
Makefile:599: recipe for target `all-recursive' failed
make[3]: *** [all-recursive] Error 1
make[3]: 离开目录“/home/Administrator/gromacs-4.5.5/src/gmxlib”
Makefile:302: recipe for target `all-recursive' failed
make[2]: *** [all-recursive] Error 1
make[2]: 离开目录“/home/Administrator/gromacs-4.5.5/src”
Makefile:238: recipe for target `all' failed
make[1]: *** [all] Error 2
make[1]: 离开目录“/home/Administrator/gromacs-4.5.5/src”
Makefile:347: recipe for target `all-recursive' failed
make: *** [all-recursive] Error 1
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doughtiness

新虫 (小有名气)

你是在什么系统下安装的GMX啊?我最近也是在安装GMX,在ubuntu系统下安装的。
你可以试试如下命令:
GMX并行安装需要3个东西,FFTW,CMAKE和GROMACS自身安装流程:
FFTW:
./configure --enable-threads --enable-float
make
make install
Cmake:
./configure
make
sudo make install
Gromacs:
./configure
make
make install
完成后再各自设置环境变量就可以了
4楼2013-01-08 20:00:13
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shengxiang

木虫 (著名写手)

【答案】应助回帖


jiaoyixiong: 金币+1, 鼓励交流 2013-01-08 09:04:01
不知道你之前的fftw和lam是否已经正常安装?
2楼2013-01-07 21:51:04
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liangjun44

至尊木虫 (著名写手)

引用回帖:
2楼: Originally posted by shengxiang at 2013-01-07 21:51:04
不知道你之前的fftw和lam是否已经正常安装?

lam装不了,提示
compiling ROMIO in directory adio/ad_ufs
make[4]: 进入目录“/home/Administrator/lam-7.1.3/romio/adio/ad_ufs”
gcc -O3 -DLAM_BUILDING=1 -O3   -DHAVE_ROMIOCONF_H -I/home/Administrator/lam-7.1.3/share/include -I/home/Administrator/lam-7.1.3/share/include -I/home/Administrator/lam-7.1.3/romio/adio/ad_ufs/../include -I../include -c ad_ufs_close.c
In file included from ad_ufs_close.c:9:
ad_ufs.h:21:17: aio.h: No such file or directory
Makefile:22: recipe for target `ad_ufs_close.o' failed
make[4]: *** [ad_ufs_close.o] Error 1
make[4]: 离开目录“/home/Administrator/lam-7.1.3/romio/adio/ad_ufs”
Make failed in directory adio/ad_ufs
Makefile:85: recipe for target `mpiolib' failed
make[3]: *** [mpiolib] Error 1
make[3]: 离开目录“/home/Administrator/lam-7.1.3/romio”
Makefile:30: recipe for target `mpio' failed
make[2]: *** [mpio] Error 2
make[2]: 离开目录“/home/Administrator/lam-7.1.3/romio”
Makefile:896: recipe for target `romio-all' failed
make[1]: *** [romio-all] Error 2
make[1]: 离开目录“/home/Administrator/lam-7.1.3”
Makefile:446: recipe for target `all-recursive' failed
make: *** [all-recursive] Error 1
之后我就没管了,在编译的时候不加--enable-mpi,装fftw是成功的~
3楼2013-01-08 08:51:45
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liangjun44

至尊木虫 (著名写手)

引用回帖:
4楼: Originally posted by doughtiness at 2013-01-08 20:00:13
你是在什么系统下安装的GMX啊?我最近也是在安装GMX,在ubuntu系统下安装的。
你可以试试如下命令:
GMX并行安装需要3个东西,FFTW,CMAKE和GROMACS自身安装流程:
FFTW:
./configure --enable-threads --enable- ...

怎样各自设置环境变量?能不能说得具体点?谢谢~
5楼2013-01-09 13:55:43
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