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zh1987hs

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[½»Á÷] ¡¾ÇóÖú¡¿AMBER11°²×°ÎÊÌâ

ÔÚubuntuÉϰ²×°AMBER11³öÏÖÎÊÌ⣬
ÔÚÖ´ÐÐ./configure gnuÖ®ºó³öÏÖ
XX@XX-desktop:~/src/amber11/AmberTools/src$ ./configure gnu


Your AMBERHOME environment variable should be set to /home/XX/src/amber11
(ÕâÀïÊÇ˵ÎÒµÄAMBER»·¾³±äÁ¿²»¶Ô£¿¿ÉÊÇÎÒÉèµÄºÍËûдµÄÊÇÒ»ÑùµÄ)
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.
£¨ÊÇ˵ÎÒÒªÏÂÔØXORG-DEVµÄ¿âÂ𣿣©
    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
£¨ÕâÀïµÄ´íÎóÊÇʲôÒâ˼£¿gfortran±¾ÉíµÄ°²×°ÎÊÌ⣿£©
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.
£¨Õâ¸öÊDZØÐë°²×°µÄÂ𣿣©
Configuring fftw-2.1.5; (may be time-consuming)

    Error: fftw configure returned 1
    fftw configure failed!  Check the fftw2_config.log file.
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snoopyzhao

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

zh1987hs(½ð±Ò+2): 2010-09-15 08:16:15
ÄãÊǰ²×° Amber »¹ÊÇ Amber tools£¿
4Â¥2010-09-15 08:05:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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gromacs

Òø³æ (ÕýʽдÊÖ)

¡ï
ghcacj(½ð±Ò+1):лл 2010-09-14 23:06:19
zh1987hs(½ð±Ò+1): 2010-09-15 08:16:19
ÎÒÔõô¾õµÃÄãamber11ÓÐÎÊÌ⣬ÊÇÕýʽ°æÃ´
"I was taught at school that you should never start a sentence without knowing the end of it." GROMACSÌÖÂÛÇø£ºhttp://www.mdbbs.org/forum-39-1.html
2Â¥2010-09-14 22:24:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zh1987hs

½ð³æ (ÖøÃûдÊÖ)

·Ö×ÓÄ£ÄâÐÂÊÖ

ÒýÓûØÌû:
Originally posted by gromacs at 2010-09-14 22:24:28:
ÎÒÔõô¾õµÃÄãamber11ÓÐÎÊÌ⣬ÊÇÕýʽ°æÃ´

ÊǵΣ¬Ã»¾­¹ý´úÀíµÄ
3Â¥2010-09-14 23:08:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zh1987hs

½ð³æ (ÖøÃûдÊÖ)

·Ö×ÓÄ£ÄâÐÂÊÖ

ÒýÓûØÌû:
Originally posted by snoopyzhao at 2010-09-15 08:05:41:
ÄãÊǰ²×° Amber »¹ÊÇ Amber tools£¿

ÕâÒ»²½Ó¦¸ÃÊÇ»¹ÔÚ°²×°AMBERTOOLS
5Â¥2010-09-15 08:16:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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