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0751cj

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[ÇóÖú] abinit±àÒë´íÎó ÒÑÓÐ1È˲ÎÓë

configure³É¹¦ÁË£¬È»ºómakeºó³öÏÖÈçÏ´íÎó
Fatal Error: File 'defs_basis.mod' opened at (1) is not a GFORTRAN module file

make[3]: *** [m_optim_dumper.o] Error 1

make[3]: Leaving directory `/home/material/chenjian114/abinit-7.8.2/src/10_dumpinfo'

make[2]: *** [all-recursive] Error 1

make[2]: Leaving directory `/home/material/chenjian114/abinit-7.8.2/src'

make[1]: *** [all-recursive] Error 1

make[1]: Leaving directory `/home/material/chenjian114/abinit-7.8.2'

make: *** [all] Error 2

[chenjian114@lu01 abinit-7.8.2]$

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KalaShayminS

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ÒýÓûØÌû:
5Â¥: Originally posted by 0751cj at 2014-12-22 00:20:15
ÄÇô˵ÊDZàÒë³É¹¦ÁË£¿ÎÒÔõôµ÷ÓÃÕâ¸ö³ÌÐò°¡£¬ÊäÈëÎļþ¶¼½¨ºÃÁË£¬°´½Ì²Ä./abinit/src/main/abinit<test_file>&log ºÃÏñ²»ÐÐ...

È·¶¨±àÒëͨ¹ýÁËÂð£¿Ö»¸øÁËconfigureµÄÊä³ö°¡£¬Ã»ÓÐmakeµÄ¡£
abinitÖ÷³ÌÐòÔÚconfigureµÄʱºò²ÎÊýÖ¸¶¨µÄprefixĿ¼µÄbinĿ¼ÏÂÃæ¡£
6Â¥2014-12-22 00:32:26
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KalaShayminS

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0751cj(ljw4010´ú·¢): ½ð±Ò+1, лл½»Á÷£¡ 2014-12-19 18:55:43
0751cj: ½ð±Ò+14, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ 2014-12-22 00:17:35
ÊÇÓÃgfortranµÄÂð£¿
Õâ¿´ÆðÀ´ÊÇÓÃÆäËû±àÒëÆ÷Ôø¾­±àÒë¹ýÁ˵«Ã»ÓÐmake cleanµ¼ÖµĴíÎó¡£
2Â¥2014-12-19 11:10:30
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0751cj

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ÒýÓûØÌû:
2Â¥: Originally posted by KalaShayminS at 2014-12-19 11:10:30
ÊÇÓÃgfortranµÄÂð£¿
Õâ¿´ÆðÀ´ÊÇÓÃÆäËû±àÒëÆ÷Ôø¾­±àÒë¹ýÁ˵«Ã»ÓÐmake cleanµ¼ÖµĴíÎó¡£

лл°¡£¬È·ÊµÊÇÕâ¸öÎÊÌ⣬µ«ÊÇmake clean ¹ýºóÓÖ³öÏÖÕâ¸öÎÊÌ⣬ÊÇʲôԭÒò£¿

ummary of important options:



  * C compiler      : intel version 13.1

  * Fortran compiler: intel version 13.1

  * architecture    : intel xeon (64 bits)



  * debugging       : basic

  * optimizations   : standard



  * OpenMP enabled  : no (collapse: ignored)

  * MPI    enabled  : yes

  * MPI-IO enabled  : auto

  * GPU    enabled  : no (flavor: none)



  * TRIO   flavor = none

  * TIMER  flavor = abinit (libs: ignored)

  * LINALG flavor = netlib (libs: auto-detected)

  * ALGO   flavor = none (libs: ignored)

  * FFT    flavor = none (libs: ignored)

  * MATH   flavor = none (libs: ignored)

  * DFT    flavor = libxc-fallback



Configuration complete.

You may now type "make" to build ABINIT.

(or, on a SMP machine, "make mj4", or "make multi multi_nprocs=<n>"
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3Â¥2014-12-20 20:42:04
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KalaShayminS

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

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ÒýÓûØÌû:
3Â¥: Originally posted by 0751cj at 2014-12-20 20:42:04
лл°¡£¬È·ÊµÊÇÕâ¸öÎÊÌ⣬µ«ÊÇmake clean ¹ýºóÓÖ³öÏÖÕâ¸öÎÊÌ⣬ÊÇʲôԭÒò£¿

ummary of important options:



  * C compiler      : intel version 13.1

  * Fortran compiler: intel version 13.1

...

ÄĸöÎÊÌ⣿ÄãÉÏÃæ¸øµÄûÓдíÎó¡£
4Â¥2014-12-21 11:41:20
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0751cj

Í­³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by KalaShayminS at 2014-12-21 11:41:20
ÄĸöÎÊÌ⣿ÄãÉÏÃæ¸øµÄûÓдíÎó¡£...

ÄÇô˵ÊDZàÒë³É¹¦ÁË£¿ÎÒÔõôµ÷ÓÃÕâ¸ö³ÌÐò°¡£¬ÊäÈëÎļþ¶¼½¨ºÃÁË£¬°´½Ì²Ä./abinit/src/main/abinit<test_file>&log ºÃÏñ²»ÐÐ
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5Â¥2014-12-22 00:20:15
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0751cj

Í­³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
6Â¥: Originally posted by KalaShayminS at 2014-12-22 00:32:26
È·¶¨±àÒëͨ¹ýÁËÂð£¿Ö»¸øÁËconfigureµÄÊä³ö°¡£¬Ã»ÓÐmakeµÄ¡£
abinitÖ÷³ÌÐòÔÚconfigureµÄʱºò²ÎÊýÖ¸¶¨µÄprefixĿ¼µÄbinĿ¼ÏÂÃæ¡£...

make ºó³öÏÖÕâд´íÎó
catastrophic error: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report.  Note: File and line given may not be explicit cause of this error.
compilation aborted for prep_fourwf.F90 (code 1)
make[3]: *** [prep_fourwf.o] Error 1
make[3]: Leaving directory `/home/material/chenjian114/abinit-7.8.2/src/66_wfs'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/material/chenjian114/abinit-7.8.2/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/home/material/chenjian114/abinit-7.8.2'
make: *** [all] Error 2

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7Â¥2014-12-22 11:17:36
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KalaShayminS

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
7Â¥: Originally posted by 0751cj at 2014-12-22 11:17:36
make ºó³öÏÖÕâд´íÎó
catastrophic error: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report.  Note:  ...

configureµÄ²ÎÊýÊÇʲô£¿
8Â¥2014-12-22 11:29:24
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cylan

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ÓÃgoogleËÑhow to install abinit on ubuntu OS£¬»áËѵ½abinitÂÛ̳ÖеĽ̳̣¬»¹ÓоÍÊÇyoutubeÉÏÓÐרÃÅÒ»¸öÊÓÆµ½ÌÄãÔõô°²×°µÄ¡£
9Â¥2014-12-22 11:57:14
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0751cj

Í­³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
8Â¥: Originally posted by KalaShayminS at 2014-12-22 11:29:24
configureµÄ²ÎÊýÊÇʲô£¿...

ʹÓõÄÊÇcfg_intel,ÀïÃæÓÐ
./configure FC=mpiifort   CC=mpiicc FC_LDFLAGS=-mkl \
--enable-mpi=yes \
--prefix=$HOME/local/abinit782 \
--with-dft-flavor=libxc

# --with-dft-flavor=libxc+wannier90+bigdft

# --with-dft-flavor=libxc+wannier90+atompaw+bigdft
~                                                                                                                                      
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