Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 475  |  »Ø¸´: 9
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

[½»Á÷] ¡¾ÇóÖú¡¿EM64T+32bit linux,vasp¿É²»¿ÉÒÔ±àÒë³É32λµÄ?

ÄãºÃ:
CPU: Xeon5410 EM64T ËĺË;
OS: rhel 5.2(32bit)

(1)±àÒëVaspѡʲômakefile.machine? ¸ø³öµÄmakefile.machineÑ¡ÏîÖÐûÓÐmakefile_linux_ifc_em64tÄØ.ÎÒÑ¡makefile.linux_ifc_P4Ã²ËÆÔÚvasp.x.libÖпÉÒÔmake.

(2)ÔÚvasp.x.xµÄmakefileÖÐÐÞ¸ÄÊýѧ¿âµÄʱºò,¿É²»¿ÉÒÔÑ¡xxx/32, ¶ø²»Ñ¡xxx/em64t? ÓÉÓÚÎÒµÄOS ÊÇ32λµÄ, °²×°HPMPIµÄʱºò(°²×°material studioʱ°²×°µÄ),Ö»Äܰ²×°i386(32bit)µÄ.

ÁíÍâ,ifortºÍmklÊǰ²×°ÔÚ/opt/intelĿ¼ÏµÄ,hpmpiÊǰ²×°ÔÚ/opt/hpmiĿ¼ÏµÄ.vaspÎļþ·ÅÔÚÒ»°ãÓû§Ä¿Â¼ÏÂ.ÒѾ­ÔÚ/rootÏÂÐÞ¸ÄÁËbashrcÀ´ÉèÖÃifort,mklºÍmpiµÄPATH,µ«ÊÇÎÒÔÚvasp.x.xÏÂmakeµÄʱºò,Ìáʾmpif90ÕÒ²»µ½.Ææ¹Ö.

ÖØÐÂÐÞ¸ÄÁË.bashrc,ûÓÐÌáʾÕÒ²»µ½Îļþ.

Ó¦¸Ã¿ÉÒÔ±àÒë32λ²¢ÐеÄÁË,ûÓÐerroÌáʾ.

[ Last edited by cenwanglai on 2009-11-17 at 17:22 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

abcasi

½ð³æ (СÓÐÃûÆø)

Ðã²Å

Äܳɹ¦

¡ï ¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjmaxpayne(½ð±Ò+1,VIP+0):лл 11-25 21:38
yjmaxpayne(½ð±Ò+2,VIP+0):лл 11-25 21:39
ÎÒ±àÒë¹ýµÄ£¬¹Ø¼ü¾ÍÊÇBLAS=-L/opt/intel/mkl/9.1.023/lib/32 -lmkl_p4 -lsvml -lvml -lguide -lpthread
ÀïÃæµÄ²ÎÊýÉèÖÃ
óÆÑ§Ã÷µÂ
4Â¥2009-11-25 21:15:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

¡ï
fegg7502(½ð±Ò+1,VIP+0):thank you very much! 11-14 17:46
ÖØÐÂÉèÖÃÁËÒ»ÏÂ.bashrc,¿ÉÒÔmake.
µ«ÊÇ×îºómake: ***[vasp] ´íÎó 1.

ºÇºÇ,¼ÌÐø.
2Â¥2009-11-13 21:54:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

¿ÉÒÔ±àÒë32λ²¢ÐеÄ,ûÓÐerroÌáʾ.µ«ÊǸµÁ¢Ò¶±ä»»·½Ã滹ÓеãÎÊÌá.¼ÌÐø.
½ð±Ò¿ÉÒÔ»¹¸øÎÒÂð?
ºÇºÇ

[ Last edited by cenwanglai on 2009-11-17 at 17:21 ]
3Â¥2009-11-17 17:19:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

abcasi

½ð³æ (СÓÐÃûÆø)

Ðã²Å

ifort°²×°ºó£¬cp ifort /bin Ŀ¼Ï£¬ÔÙ×°mpich2

¡ï ¡ï
yjmaxpayne(½ð±Ò+2,VIP+0):лл 11-25 21:39
ifort°²×°ºó£¬cp ifort  /bin Ŀ¼Ï£¬ÔÙ×°mpich2
¾Í²»»á³öÏÖÏÂÃæµÄÎÊÌâ
mpif90ÕÒ²»µ½
óÆÑ§Ã÷µÂ
5Â¥2009-11-25 21:18:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸085404£¬×Ü·Ö291£¬Ëļ¶Òѹý£¬Çóµ÷¼Á +7 °¢¿¡°¢¿¡°¢¿¡ 2026-04-04 9/450 2026-04-07 22:25 by dick_runner
[¿¼ÑÐ] 085602»¯Ñ§¹¤³Ì268·Ö¶×µ÷¼Á +13 ÔÂÕÕ»¨ÁÖ¡£ 2026-04-01 13/650 2026-04-07 17:23 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 286Çóµ÷¼Á +20 Faune 2026-04-06 20/1000 2026-04-07 11:33 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] Çóµ÷¼Á Ò»Ö¾Ô¸Î÷ÄϽ»Í¨´óѧ085701»·¾³¹¤³Ì 282·Ö +13 ¶à¶à°®³Ôºº±¤ 2026-04-04 14/700 2026-04-07 11:22 by Ê«Óë×ÔÓÉ
[˶²©¼ÒÔ°] 0856²ÄÁÏ»¯¹¤Çóµ÷¼Á£¬Ò»Ö¾Ô¸211£¬³õÊԳɼ¨349 +4 ½­»´±±Ô 2026-04-05 4/200 2026-04-06 22:44 by chenzhimin
[¿¼ÑÐ] »ªÄÏÀí¹¤0703»¯Ñ§£¬×Ü·Ö336Çóµ÷¼Á +10 ÊÖ»úÓû§ 2026-04-03 11/550 2026-04-06 22:20 by michael2011
[¿¼ÑÐ] 327¿¼Ñе÷¼ÁÍÆ¼ö +6 ÎØÎØÎØÎØÄØ 2026-04-06 6/300 2026-04-06 21:39 by à£à£à£0119
[¿¼ÑÐ] Çóµ÷¼Áµ½²ÄÁÏ +5 ³Ì9915 2026-04-06 5/250 2026-04-06 15:21 by yulian1987
[¿¼ÑÐ] Ò»Ö¾Ô¸ºÓ±±¹¤Òµ´óѧ²ÄÁϹ¤³Ì£¬³õÊÔ344Çóר˶µ÷¼Á +6 15933906766 2026-04-05 6/300 2026-04-06 13:21 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-05 4/200 2026-04-06 12:29 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] Çóµ÷¼Á +5 chenxrlkx 2026-04-05 7/350 2026-04-06 07:54 by houyaoxu
[¿¼ÑÐ] 0703Çóµ÷¼Á383·Ö +9 W55j 2026-04-03 9/450 2026-04-06 06:50 by houyaoxu
[¿¼ÑÐ] Çóµ÷¼Á +10 Hllºú 2026-04-04 10/500 2026-04-05 20:09 by nepu_uu
[¿¼ÑÐ] Ò»Ö¾Ô¸µç×ӿƼ¼´óѧ085600²ÄÁÏÓ뻯¹¤ 329·ÖÇóµ÷¼Á +10 Naiko 2026-04-04 10/500 2026-04-05 09:40 by sam3303
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó0705Çóµ÷¼Á +3 éÙʮһ 2026-04-02 4/200 2026-04-05 00:05 by chongya
[¿¼ÑÐ] 085600µ÷¼Á +4 1amJJ 2026-04-02 4/200 2026-04-04 21:53 by hemengdong
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 ľÐÄÏë¼ÌÐøÉîÔì 2026-04-03 3/150 2026-04-03 21:56 by à£à£à£0119
[¿¼ÑÐ] 266Çóµ÷¼Á +3 08µçÆø¹¤³Ì 2026-04-03 3/150 2026-04-03 14:05 by 1753564080
[¿¼ÑÐ] 338Çóµ÷¼Á£¬Ò»Ö¾Ô¸ÄÜÔ´¶¯Á¦£¬ÍâÓïÊÇÈÕÓï203 +5 zzz£¬£¬r 2026-04-02 5/250 2026-04-03 09:45 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 310·ÖÇóµ÷¼Á +4 ³É¹¦Éϰ¶wang 2026-04-01 4/200 2026-04-01 20:35 by liu823948201
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û