Znn3bq.jpeg
²é¿´: 15940  |  »Ø¸´: 314

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï
aylayl08(½ð±Ò+1):ллÌáʾ 2010-05-29 18:07:44
ÒýÓûØÌû:
Originally posted by mxiangying at 2010-05-27 20:09:34:
ĿǰûÓÐʵÑé½á¹û¿ÉÒÔ¶ÔÕÕ£¬ÇëÎʲÄÁÏÖк¬Cu, TiÔªËØ£¬¼ÆËãʱҪ²»Òª¼ÓU£¿

ÊÔÑéÉϿ϶¨ÓС£  µ«Ã²ËƲ»Ó㬠ÎÒû×ö¹ýÕâÑùµÄ²ÄÁÏ¡£
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
31Â¥2010-05-27 22:59:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

westmonster

½ð³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
UÖµ¼ÓµÄ²»Í¬£¬¶ÔÌåϵµÄÄÜÁ¿¼ÆËãÒ²»áÓÐÓ°Ïì¡£UÈ¡¶àÉÙÒª¸úʵÑé¶Ô±È£¬¶Ô±Èʲô£¿
ÒýÓûØÌû:
Originally posted by gavinliu7390 at 2010-05-16 21:45:37:

Ò»°ãÐèÒª¼ÓUºó£¬¸úÊÔÑé¶Ô±È¡£
µ«U¼Óµ½Ò»¶¨³Ì¶È£¬¾ÍÊÇhubbardÄ£ÐÍÁË¡£ ¼´ËùÓеĵç×Ó×ÔÐý¶¼Æ½ÐÐÅÅÁС£
ËùÒÔU»¹ÊÇÐèÒªºÏÊÊ¡£

²õ£¬ÓÚÆäÍÑ¿ÇÕ¹³á£¬ÔòÕݾӵØÏ£¬ËÆÎÞÉùÎÞÏ¢£¬ÊµÔòÒÔ±¸ÓÐËùΪ¡£
32Â¥2010-05-30 10:46:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï
zzy870720z(½ð±Ò+1):ллָµ¼ 2010-05-31 12:27:57
ÒýÓûØÌû:
Originally posted by westmonster at 2010-05-30 10:46:48:
UÖµ¼ÓµÄ²»Í¬£¬¶ÔÌåϵµÄÄÜÁ¿¼ÆËãÒ²»áÓÐÓ°Ïì¡£UÈ¡¶àÉÙÒª¸úʵÑé¶Ô±È£¬¶Ô±Èʲô£¿


ÄâºÏÎï̬·½³Ì£¬ ¿´Æ½ºâÌå»ýºÍÌ嵯ģÁ¿£¡
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
33Â¥2010-05-30 10:47:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¸çÊÇ´«Ëµ

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

Ë­ÓÐMedeAµÄ½Ì³Ì°¡
34Â¥2010-05-31 10:16:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

ÒýÓûØÌû:
Originally posted by ¸çÊÇ´«Ëµ at 2010-05-31 10:16:36:
Ë­ÓÐMedeAµÄ½Ì³Ì°¡

²»Á˽⣡
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
35Â¥2010-05-31 13:18:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zzy870720z

ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï ¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
gavinliu7390(½ð±Ò+3):лл£¡ 2010-06-01 16:12:44
ÒýÓûØÌû:
Originally posted by ¸çÊÇ´«Ëµ at 2010-05-31 10:16:36:
Ë­ÓÐMedeAµÄ½Ì³Ì°¡

¿´Ò»ÏÂ
http://muchong.com/bbs/viewthread.php?tid=1505128&fpage=1
ÀïÃæÓÐÕ⼸¸öÌû×ÓÊÇmedeaµÄ×ÊÁÏ
http://muchong.com/bbs/viewthread.php?tid=1946300&fpage=2
http://muchong.com/bbs/viewthread.php?tid=1672308&fpage=14
http://muchong.com/bbs/viewthread.php?tid=1402787&fpage=2
²©Ñ§¡¢ÉóÎÊ¡¢É÷˼¡¢Ã÷±æ¡¢óÆÑ§
36Â¥2010-06-01 13:10:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zzy870720z(½ð±Ò+1):ллÌáʾ 2010-06-04 07:28:06
ÒýÓûØÌû:
Originally posted by aasan at 2010-05-09 14:11:42:
ÐèÒª¼ÆËãµÄÊÇSmFe2µÄ´ÅÐÔ£¬°´ÕÕºòÖù·åµÄ½Ì³ÌÕâÑùÉèÖãº
INCARÎҸоõÓкܴóµÄÎÊÌ⣺
SYSTEM = SmFe2
ISTART = 0; ICHARG = 2
ENCUT = 250 eV
ISMEAR = -5
GGA = PE; VOSKOWN = 1
ISPIN = 2
MAGMOM = 1
PR ...

ÕâÖÖ´íÎóÒ»°ãÊÇÊäÈëÎļþûÓÐŪ¶Ô,±ÈÈçPOSCARÎļþ´íÎó.ÎÒÿ´Î³öÏÖÕâÖÖÏÖÏó,¾ÍÈÏÕæ¼ì²éPOSCAR,È»ºó¾ÍûÓÐÎÊÌâÁË.
37Â¥2010-06-03 23:33:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

greatqi

ľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Ò» °²×°±àÒëÆ÷
1. ½âѹËõpgilinux86-64-702.tar.gzµ½xcÎļþ¼Ð
2. ÊÖ¶¯½¨Á¢/opt/pgiÎļþ¼Ð
3. ÔÚxcÎļþ¼ÐÖÐÊäÈë./install½øÐа²×°
4. ½«license.datÎļþ·ÅÖÁ/opt/pgi/
5. ÉèÖû·¾³±äÁ¿£º´ò¿ª/etc/bashrc£¬ÔÚ×îºóÃæÕ³ÌùÈçÏÂÒ»¶Î£º
PATH=/opt/pgi/linux86-64/7.0/bin:$PATH
export PATH
MANPATH=$MANPATH:/opt/pgi/linux86-64/7.0/man
export MANPATH
LM_LICENSE_FILE=/opt/pgi/license.dat
export LM_LICENSE_FILE
export PGI=/opt/pgi
±£´æ
È»ºóÔÚÃüÁîÐÐÊäÈësource .bashrc
¶þ¡¢ °²×°Êýѧ¿â£º
Èý¡¢ ±àÒ룺
1. ÊäÈëÃüÁîÈçÏ£º
cd vasp.4.lib
cp makefile. linux_pgi _opt ma kefile
make
³É¹¦ºó½«ÔÚvasp.4.lib Îļþ¼ÐÖеõ½libdmy.aÎļþ
2. Í˳övasp.4.lib Ŀ¼£¬È»ºóÊäÈëÃüÁîÈçÏ£º
cd vasp.4.6
cp makefile. linux_pgi _opt ma kefile
È»ºó±à¼­makefile Îļþ£ºÕÒµ½# Atlas based librariesËùÔÚÐк󣬽«ÆäºóÐÐ×öÈçÏÂÐ޸ģº
½«#ATLASHOME= $(PWD)/Linux_HAMMER64SSE2/lib/ÐиÄΪ£º
ATLASHOME= <Êýѧ¿âËùÔÚ·¾¶>/lib/£¨Ã»ÓÐ#£©
½«#BLAS= -L$(ATLASHOME) -lf77blas ¨ClatlasÐÐ#È¥µô
½«BLAS= /home/kresse/64/vasp.4.6/libgoto_opt64-r0.93.soÐÐ×îǰ¶Ë¼ÓÉÏ#
½«LAPACK= ../vasp.4.lib/lapack_double.oÐиÄΪ
LAPACK= /xxx/vasp.4.lib/lapack_double.o
È»ºó±£´æÍ˳ö
È»ºómake

±àÒë³É¹¦ºó½«ÔÚvasp.4.6Îļþ¼ÐÖÐÉú³Évasp ¿ÉÖ´ÐÐÎļþ

ÔÚ¼´½«Íê³É°²×°µÄʱºò£¬ÊäÈëmake È»ºó³öÏÖÒÔÏ´íÎóÐÅÏ¢¡£./preprocess xcspin.f90  -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=8000 -DPGF90 -Davoidalloc
/bin/sh: xcspin.f90: Permission denied
make: *** [xcspin.f90] Error 1ÕË»§

Èç¹ûÎÒת»»³ÉrootÕË»§£¬³öÏÖÒÔÏÂÐÅÏ¢£º [root@scluster vasp.4.6]# make
bash: make: command not found¡£
ÇëÎʵ½µ×ÊÇÔõô»ØÊ£¿

[ Last edited by greatqi on 2010-6-9 at 11:03 ]
38Â¥2010-06-09 10:09:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï
zzy870720z(½ð±Ò+1):лл 2010-06-18 12:55:43
ÒýÓûØÌû:
Originally posted by greatqi at 2010-06-09 10:09:41:
Ò» °²×°±àÒëÆ÷
1. ½âѹËõpgilinux86-64-702.tar.gzµ½xcÎļþ¼Ð
2. ÊÖ¶¯½¨Á¢/opt/pgiÎļþ¼Ð
3. ÔÚxcÎļþ¼ÐÖÐÊäÈë./install½øÐа²×°
4. ½«license.datÎļþ·ÅÖÁ/opt/pgi/
5. ÉèÖû·¾³±äÁ¿£º´ò¿ª/etc/bashrc£¬ÔÚ×î ...

ÄãµÄrootÓû§ÏµÄbashÀïûÓÐmakeÕâ¸öÃüÁî¡£
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
39Â¥2010-06-09 11:49:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

º£Íå

Í­³æ (³õÈëÎÄ̳)

²î·ÖÃܶȡ¢¾ÖÓòÃܶÈ

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
cenwanglai(½ð±Ò+1):¹ÄÀøÐ³淢Ìû,±£³ÖÈÈÇé,»¶Ó­·ÖÏí. 2010-07-01 09:31:18
ÇëÎÊ£º
²î·ÖÃܶȡ¢¾ÖÓòÃÜ¶È Ôõô¶¨ÒåµÄ£¿ ÖеÄISO value ʲôÒâ˼£¿µ¥Î»ÊÇʲô£¿
º£·çÇáÇá´µ
40Â¥2010-06-17 19:20:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ gavinliu7390 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 327Çóµ÷¼Á +10 Xxjc1107. 2026-04-06 11/550 2026-04-09 01:21 by lature00
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +15 ŬÁ¦·Ü¶·112 2026-04-06 17/850 2026-04-08 22:27 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] µ÷¼Á +9 ÔÂ@163.com 2026-04-08 9/450 2026-04-08 21:44 by ZMQAHPU
[¿¼ÑÐ] һ־Ըɽ¶«´óѧ»¯Ñ§Ó뻯¹¤Ñ§Ôº²ÄÁÏÓ뻯¹¤×¨Ë¶£¬360·ÖÇóµ÷¼Á +8 ²»Ô¸Í¸Â¶ÐÕÃûµÄË 2026-04-02 8/400 2026-04-08 20:12 by luoyongfeng
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á 348·Ö +14 °¦ÎÒ³¬ÕæÃ»ÕÐÁË 2026-04-06 15/750 2026-04-08 19:16 by ÎÒ¼õ·Ê1
[¿¼ÑÐ] Çóµ÷¼Á +6 chenxrlkx 2026-04-05 8/400 2026-04-08 16:03 by screening
[¿¼ÑÐ] 280Çóµ÷¼Á +9 Àîrien 2026-04-04 9/450 2026-04-08 13:20 by lijunpoly
[¿¼ÑÐ] 285Çóµ÷¼Á +18 AZMK 2026-04-02 19/950 2026-04-08 10:33 by xingguangj
[¿¼ÑÐ] 305Çóµ÷¼Á +3 77Qi 2026-04-07 3/150 2026-04-07 23:18 by jp9609
[¿¼ÑÐ] 307Çóµ÷¼Á +3 Youth@@ 2026-04-07 3/150 2026-04-07 22:00 by hemengdong
[¿¼ÑÐ] 305Çóµ÷¼Á +4 77Qi 2026-04-06 4/200 2026-04-07 20:06 by shanqishi
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +6 ´Þwj 2026-04-02 6/300 2026-04-07 18:45 by Çóµ÷¼Ázz
[ÂÛÎÄͶ¸å] Decision: Revise for Editor»¹»áËÍÉóÂð 100+3 CccccccccFD 2026-04-04 5/250 2026-04-07 10:58 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] 302·Ö 085601Çóµ÷¼ÁÍÆ¼ö +11 zyxÉϰ¶£¡ 2026-04-05 11/550 2026-04-05 22:13 by dongzh2009
[¿¼ÑÐ] 296²ÄÁÏר˶Çóµ÷¼Á +21 202451007219 2026-04-02 22/1100 2026-04-04 21:48 by hemengdong
[¿¼ÑÐ] 331Çóµ÷¼Á +3 niby 2026-04-02 3/150 2026-04-04 19:56 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 325Çóµ÷¼Á +4 ´º·ç²»½èÒâ 2026-04-04 4/200 2026-04-04 14:46 by ÏæÅ©´¢ÄܲÄÁÏ
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +6 ·¶¸ùÅà 2026-04-04 6/300 2026-04-04 14:27 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 335Çóµ÷¼Á +7 ÉòÇåÁ§ 2026-04-03 7/350 2026-04-03 18:55 by lijunpoly
[¿¼ÑÐ] 262Çóµ÷¼Á +6 ÀøÖ¾Ò»¶¨·¢ÎÄÕ 2026-04-02 7/350 2026-04-03 09:54 by linyelide
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û