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4. °²×°VASP 4.6
½âѹ vasp ºÍ vasp-lib
user@~$ tar -xvf vasp.4.lib.tar.gz -C /tmp/
user@~$ tar -xvf vasp.4.6.tar.gz -C /tmp/
ÉÏÃæµÄÃüÁ°ÑvaspºÍlib½âѹµ½ /tmp/ Ŀ¼Ï嵀 vasp.4.lib Ŀ¼ºÍ vasp.4.6 Ŀ¼;
user@~$ cd /tmp/vasp.4.lib/
user@/tmp/vasp.4.lib$ vim makefile.linux_ifc_ath
# 19ÐÐ FC=ifc £¬ ¸ÄΪ FC=ifort
user@/tmp/vasp.4.lib$ make -f makefile.linux_ifc_ath
      # ±àÒë»ñµÃ libdmy.a
×öµ½ÕâÒ»²½Ê±£¬ÎÒ½øÐÐuser@/tmp/vasp.4.lib$ make -f makefile.linux_ifc_ath½øÐбàÒ룬
½á¹û³öÏÖmake: *** ûÓйæÔò¿ÉÒÔ´´½¨¡°.SUFFIXES¡±ÐèÒªµÄÄ¿±ê¡°.inc¡±¡£ Í£Ö¹¡£
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jerkwin

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2Â¥2015-07-22 21:04:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

729267452lgl

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ÒýÓûØÌû:
2Â¥: Originally posted by jerkwin at 2015-07-22 21:04:44
http://jerkwin.github.io/2014/05/19/VASP.5.2.12%E7%BC%96%E8%AF%91-Intel-Fortran+MPI+MKL/

ÄǸö»¹ÐèÒªÏÂÔØMPIÂð£¿ÎÒ¿´µÄÒ»¸ö½Ì³ÌÉϲ»ÓÃÏÂÔØÑ½£¬»¹ÓÐÄÇЩ·½¿òÀïµÄÊÇʲô¶«Î÷°¡£¬¾ßÌåÐèҪʲô²½Öèѽ£¬±¾È˲ËÄñÒ»¸ö£¬»¹Íû´óÉñ´Í½Ì¡£
3Â¥2015-07-22 22:10:17
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729267452lgl

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by jerkwin at 2015-07-22 21:04:44
http://jerkwin.github.io/2014/05/19/VASP.5.2.12%E7%BC%96%E8%AF%91-Intel-Fortran+MPI+MKL/

ÄǸö»¹ÐèÒªÏÂÔØMPIÂð£¿ÎÒ¿´µÄÒ»¸ö½Ì³ÌÉϲ»ÓÃÏÂÔØÑ½£¬»¹ÓÐÄÇЩ·½¿òÀïµÄÊÇʲô¶«Î÷°¡£¬¾ßÌåÐèҪʲô²½Öèѽ£¬±¾È˲ËÄñÒ»¸ö£¬»¹Íû´óÉñ´Í½Ì¡£
4Â¥2015-07-23 15:10:16
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jerkwin

ר¼Ò¹ËÎÊ (ÕýʽдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by 729267452lgl at 2015-07-23 15:10:16
ÄǸö»¹ÐèÒªÏÂÔØMPIÂð£¿ÎÒ¿´µÄÒ»¸ö½Ì³ÌÉϲ»ÓÃÏÂÔØÑ½£¬»¹ÓÐÄÇЩ·½¿òÀïµÄÊÇʲô¶«Î÷°¡£¬¾ßÌåÐèҪʲô²½Öèѽ£¬±¾È˲ËÄñÒ»¸ö£¬»¹Íû´óÉñ´Í½Ì¡£...

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5Â¥2015-07-23 20:27:40
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