±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1934  |  »Ø¸´: 16

liliangfang

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
10Â¥: Originally posted by liliangfang at 2011-11-13 16:16:22:
Èç¹ûmpi°²×°ºÃÁËÓÃmpirun -np 4 vasp

Ê×ÏÈÒªmpdboot
È»ºómpirun -np 4 vasp
11Â¥2011-11-13 16:17:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ddr6021023

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
10Â¥: Originally posted by liliangfang at 2011-11-13 16:16:22:
Èç¹ûmpi°²×°ºÃÁËÓÃmpirun -np 4 vasp

vasp: symbol lookup error: vasp: undefined symbol: zpotrf_
ÇëÎÊÌáʾ³öÏÖÕâ¸ö´íÎóÊÇʲôÒâË¼ÄØ£¿£¿
12Â¥2011-11-13 16:19:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liliangfang

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
12Â¥: Originally posted by ddr6021023 at 2011-11-13 16:19:56:
vasp: symbol lookup error: vasp: undefined symbol: zpotrf_
ÇëÎÊÌáʾ³öÏÖÕâ¸ö´íÎóÊÇʲôÒâË¼ÄØ£¿£¿

vaspûÓбàÒë³É¹¦°É
13Â¥2011-11-13 18:27:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lishufei

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
13Â¥: Originally posted by liliangfang at 2011-11-13 18:27:40:
vaspûÓбàÒë³É¹¦°É

6£º½âѹvasp.4.6.tar.gz    ºÍ   vasp.4.lib.tar.gz
   tar xzvf vasp.4.6.tar.gz  ºÍtar xzvf vasp.4.lib.tar.gz
½øÈëvasp.4.libĿ¼ cd vasp.4.lib
cp makefile.linux_ifc_P4  makefile ´ò¿ªmakefileÎļþÐÞ¸ÄFC=ifort ±£´æÎļþ
make
±àÒë³É¹¦ºó£¬µÃµ½libdmy.aÎļþ¡££¨»òÕßmake -f linux_ifc_P4, ¼ÇµÃÐÞ¸ÄFC=ifort£©
7£ºÍ˳övasp.4.libĿ¼ ½øÈëvasp.4.6Ŀ¼
°ÑÉÏÃæµÄmakefile¿½±´µ½vasp.4.6ÀïÈ¥¡£¿½±´vasp.4.libÀïÃæÐÂÉú³ÉµÄlibdmy.aÎļþcopyµ½vasp.4.6Àï
cp vasp4.lib/libdmy.a vasp4.6
½øÐÐmake
¾ÍÊÇÕâÑù°²×°°É£¿
14Â¥2011-11-13 22:04:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liliangfang

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

¡ï ¡ï
franch(½ð±Ò+2): ¹ÄÀø½»Á÷ 2011-11-14 20:34:08
ÒýÓûØÌû:
14Â¥: Originally posted by lishufei at 2011-11-13 22:04:41:
6£º½âѹvasp.4.6.tar.gz    ºÍ   vasp.4.lib.tar.gz
   tar xzvf vasp.4.6.tar.gz  ºÍtar xzvf vasp.4.lib.tar.gz
½øÈëvasp.4.libĿ¼ cd vasp.4.lib
cp makefile.linux_ifc_P4  makefile ´ò¿ªmakefileÎļþ ...

¶÷ ÄãÄÇ´®ÐÐÄÜÔËÐв»£¬¿´ÌáʾÊÇû±àÒë³É¹¦
15Â¥2011-11-13 22:25:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lishufei

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
15Â¥: Originally posted by liliangfang at 2011-11-13 22:25:28:
¶÷ ÄãÄÇ´®ÐÐÄÜÔËÐв»£¬¿´ÌáʾÊÇû±àÒë³É¹¦

´®ÐÐÎÒÊÇÖµ¼ä´ÓÆäËû»ú×Ó¿½±´µÄ£¬¿ÉÒÔÓÃ
16Â¥2011-11-14 20:21:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liliangfang

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÄãµÄ×Ô¼º±àÒë³É¹¦
17Â¥2011-11-14 20:45:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lishufei µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¶û±õ¹¤Òµ´óѧ085600Ó¢Ò»Êý¶þ337·ÖÇóµ÷¼Á +5 lyz0427 2026-04-03 5/250 2026-04-04 06:10 by xuxiang
[¿¼ÑÐ] ²ÄÁÏרҵ383Çóµ÷¼Á +6 ¹ùÑôÑôÑô³É 2026-04-03 6/300 2026-04-03 22:32 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 343Çóµ÷¼Á085601 +6 ҪŬÁ¦Ñ§Ï°x 2026-03-29 7/350 2026-04-03 19:49 by °ÙÁéͯ888
[¿¼ÑÐ] 329Çóµ÷¼Á +9 miaodesi 2026-04-02 11/550 2026-04-03 18:28 by lsÁõ˧
[¿¼ÑÐ] 303Çóµ÷¼Á +10 DLkz1314. 2026-03-30 10/500 2026-04-03 18:03 by Jimmyandyou
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +7 ÏàÐűػá¹ââÍòÕ 2026-04-02 7/350 2026-04-03 16:48 by rzh123456
[¿¼ÑÐ] 11408£¬284·Ö£¬¶þÕ½Õæ³ÏÇóµ÷¼Á +4 12.27 2026-04-02 4/200 2026-04-03 14:14 by dxiaoxin
[¿¼ÑÐ] ÉúÎïѧÇóµ÷¼Á +3 15064154688 2026-04-03 3/150 2026-04-03 10:28 by macy2011
[¿¼ÑÐ] 318Çóµ÷¼Á£¬¼ÆËã²ÄÁÏ·½Ïò +10 Îüß÷Óк¦óÏÃü 2026-04-01 11/550 2026-04-02 16:29 by oooqiao
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©Àí¹¤´óѧ±¾¿Æ211²ÄÁϹ¤³Ì294Çóµ÷¼Á +8 mikasaµÄΧ½í 2026-03-28 9/450 2026-04-02 12:09 by ms629
[¿¼ÑÐ] 302Çóµ÷¼ÁÒ»Ö¾Ô¸±±º½070300£¬±¾¿ÆÖ£´ó»¯Ñ§ +8 Ê¥ÈÕ¶úÂüÌõ 2026-04-01 11/550 2026-04-02 07:40 by chemdavid
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ324Çóµ÷¼Á +7 hanamiko 2026-03-30 7/350 2026-04-01 13:22 by JourneyLucky
[¿¼ÑÐ] 086000ÉúÎïÓëÒ½Ò©298µ÷¼ÁÇóÖú +4 ÔªÔªÇàÇà 2026-03-31 6/300 2026-04-01 11:13 by syh9288
[¿¼ÑÐ] 326Çóµ÷¼Á +4 áÌáÌ×Ð 2026-03-31 4/200 2026-04-01 09:58 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] ¿¼ÑÐÉúÎïÓëÒ½Ò©µ÷¼Á +7 Ìúº©º©123425 2026-03-31 7/350 2026-04-01 08:45 by JourneyLucky
[¿¼ÑÐ] µ÷¼ÁÇóԺУÕÐÊÕ +7 º×¾¨¸ë 2026-03-28 7/350 2026-03-31 11:21 by oooqiao
[¿¼ÑÐ] µ÷¼Á +4 GK72 2026-03-30 4/200 2026-03-30 20:32 by dick_runner
[¿¼ÑÐ] һ־Ը˫һÁ÷»úе285·ÖÇóµ÷¼Á +4 ÐÒÔ˵ÄÈýľ 2026-03-29 5/250 2026-03-29 14:49 by Miko19
[¿¼ÑÐ] ÊýÒ»Ó¢Ò»271ר˶£¨085401£©Çóµ÷¼Á£¬¿É¿ç +7 ǰÐбØÓйâ 2026-03-28 8/400 2026-03-28 23:22 by Сľ³ætim
[¿¼ÑÐ] ҩѧ105500Çóµ÷¼Á +3 Ssun¡£¡£ 2026-03-28 3/150 2026-03-28 11:24 by lxf170613
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û