24小时热门版块排行榜    

查看: 2906  |  回复: 5
当前只显示满足指定条件的回帖,点击这里查看本话题的所有回帖

zh1987hs

金虫 (著名写手)

分子模拟新手

[交流] 【求助】AMBER11安装问题

在ubuntu上安装AMBER11出现问题,
在执行./configure gnu之后出现
XX@XX-desktop:~/src/amber11/AmberTools/src$ ./configure gnu


Your AMBERHOME environment variable should be set to /home/XX/src/amber11
(这里是说我的AMBER环境变量不对?可是我设的和他写的是一样的)
Could not find the X11 libraries; you may need to edit config.h
   to set the XHOME and XLIBS variables.
Warning: the X11 libraries are not in the usual location !
    To search for them try the command: locate libXt
    On new Fedora OS's install the libXt-devel libXext-devel
    libX11-devel libICE-devel libSM-devel packages.
    On old Fedora OS's install the xorg-x11-devel package.
    On RedHat OS's install the XFree86-devel package.
    On Ubuntu OS's install the xorg-dev package.
(是说我要下载XORG-DEV的库吗?)
    For the moment Amber will be configured not to build XLEaP.

Obtaining the gnu suite version:
      gcc -v
The version is 4.4.1

Testing the gcc compiler:
     gcc  -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c
OK

Validating the C++ compiler version:
     g++ -v
The version is
[: 1340: -lt: unexpected operator
OK

Testing the gfortran compiler:
     gfortran -O0 -o testp testp.f
./configure: 1340: gfortran: not found
./configure: 1340: ./testp: not found
Unable to compile a Fortran program using gfortran -O0
We will be unable to compile sqm
(这里的错误是什么意思?gfortran本身的安装问题?)
Testing mixed C/Fortran compilation:
     gcc  -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -c -o testp.c.o testp.c
     gfortran -O0 -c -o testp.f.o testp.f
./configure: 1340: gfortran: not found
     gcc -o testp testp.c.o testp.f.o -lgfortran
gcc: testp.f.o: No such file or directory
./configure: 1340: ./testp: not found
WARNING: Unable to compile mixed C/Fortran code.

Testing pointer size:
     gcc  -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o test_pointer_size test_pointer_size.c
Detected 32 bit operating system.

Testing flex:
OK

Configuring NetCDF; (may be time-consuming)

    Error: NetCDF configure returned 1
    NetCDF configure failed!  Check the netcdf_config.log file.
    Continuing but NetCDF will be skipped.
(这个是必须安装的吗?)
Configuring fftw-2.1.5; (may be time-consuming)

    Error: fftw configure returned 1
    fftw configure failed!  Check the fftw2_config.log file.
这是出错信息,请指教
回复此楼

» 猜你喜欢

» 本主题相关价值贴推荐,对您同样有帮助:

已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

zh1987hs

金虫 (著名写手)

分子模拟新手

引用回帖:
Originally posted by snoopyzhao at 2010-09-15 08:05:41:
你是安装 Amber 还是 Amber tools?

这一步应该是还在安装AMBERTOOLS
5楼2010-09-15 08:16:07
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
查看全部 6 个回答

gromacs

银虫 (正式写手)


ghcacj(金币+1):谢谢 2010-09-14 23:06:19
zh1987hs(金币+1): 2010-09-15 08:16:19
我怎么觉得你amber11有问题,是正式版么
"I was taught at school that you should never start a sentence without knowing the end of it." GROMACS讨论区:http://www.mdbbs.org/forum-39-1.html
2楼2010-09-14 22:24:28
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

zh1987hs

金虫 (著名写手)

分子模拟新手

引用回帖:
Originally posted by gromacs at 2010-09-14 22:24:28:
我怎么觉得你amber11有问题,是正式版么

是滴,没经过代理的
3楼2010-09-14 23:08:26
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

snoopyzhao

至尊木虫 (职业作家)

zh1987hs(金币+2): 2010-09-15 08:16:15
你是安装 Amber 还是 Amber tools?
4楼2010-09-15 08:05:41
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
普通表情 高级回复 (可上传附件)
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[考研] 材料专硕306英一数二 +5 z1z2z3879 2026-03-16 7/350 2026-03-17 11:07 by 学员h26Tkc
[考研] 271求调剂 +12 生如夏花… 2026-03-11 14/700 2026-03-17 10:56 by lovewei0727
[考研] 304求调剂 +4 ahbd 2026-03-14 4/200 2026-03-16 16:48 by 我的船我的海
[考研] 0703化学调剂 ,六级已过,有科研经历 +7 曦熙兮 2026-03-15 7/350 2026-03-16 16:34 by houyaoxu
[考研] 085600材料与化工 求调剂 +13 enenenhui 2026-03-13 14/700 2026-03-16 15:19 by 了了了了。。
[考研] 085601材料工程315分求调剂 +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
[考研] 328求调剂 +3 5201314Lsy! 2026-03-13 6/300 2026-03-14 15:31 by hyswxzs
[考研] 0805,333求调剂 +3 112253525 2026-03-10 3/150 2026-03-13 23:42 by JourneyLucky
[考研] 材料与化工(0856)304求B区调剂 +6 邱gl 2026-03-12 7/350 2026-03-13 23:24 by 邱gl
[考研] 337一志愿华南理工0805材料求调剂 +7 mysdl 2026-03-11 9/450 2026-03-13 22:43 by JourneyLucky
[考研] 308求调剂 +5 是Lupa啊 2026-03-11 5/250 2026-03-13 22:13 by JourneyLucky
[考研] 301求调剂 +6 Liyouyumairs 2026-03-11 6/300 2026-03-13 20:11 by JourneyLucky
[考研] 290求调剂 +7 ADT 2026-03-12 7/350 2026-03-13 15:17 by JourneyLucky
[考研] 085600材料与化工 309分请求调剂 +7 dtdxzxx 2026-03-12 8/400 2026-03-13 14:43 by jxchenghu
[考研] 材料301分求调剂 +5 Liyouyumairs 2026-03-12 5/250 2026-03-13 14:42 by JourneyLucky
[考研] 0856化工原理 +6 z2839474511 2026-03-10 6/300 2026-03-13 10:41 by houyaoxu
[考研] 化工学硕306求调剂 +9 42838695 2026-03-12 9/450 2026-03-13 10:16 by houyaoxu
[考研] 333求调剂 +3 152697 2026-03-12 4/200 2026-03-13 07:08 by Iveryant
[考博] 2026年博士申请 +3 QwQwQW10 2026-03-11 3/150 2026-03-12 17:58 by gxch43
[考研] 279求调剂 +3 莫xiao 2026-03-10 4/200 2026-03-11 08:06 by 斩魂滴兔子!
信息提示
请填处理意见