Znn3bq.jpeg
²é¿´: 492  |  »Ø¸´: 9
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

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

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

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

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

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

ÒýÓûØÌû:
Originally posted by abcasi at 2009-11-25 21:15:
ÎÒ±àÒë¹ýµÄ£¬¹Ø¼ü¾ÍÊÇBLAS=-L/opt/intel/mkl/9.1.023/lib/32 -lmkl_p4 -lsvml -lvml -lguide -lpthread
ÀïÃæµÄ²ÎÊýÉèÖÃ

ºÇºÇ,ȷʵȷʵ.ÎÒºóÀ´ÐÞ¸ÄÁËlink,°Ñ¿ÉÒÔÁË.
6Â¥2009-11-29 13:54:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

ÎÒµÄcpuÊǵ¥cpuËĺ˵Ä,²¢Ðа汾±àÒëÍê³ÉºóÔõôÉèÖÃÔËÐÐÄØ?
7Â¥2009-11-29 13:56:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

ÒýÓûØÌû:
Originally posted by abcasi at 2009-11-25 21:18:
ifort°²×°ºó£¬cp ifort  /bin Ŀ¼Ï£¬ÔÙ×°mpich2
¾Í²»»á³öÏÖÏÂÃæµÄÎÊÌâ
mpif90ÕÒ²»µ½

ºÇºÇ,лл!
8Â¥2009-11-29 13:57:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

netx_ray

ľ³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
qasd(½ð±Ò+1,VIP+0):xiexie~ 11-30 20:05
Ô­À´±àÒë¹ý£¬

¾Ýµ±³õµÄ¾­Ñ飺

32λµÄ±àÒëÆ÷ + 32λµÄº¯Êý¿â£¨mkl,fftw£©¾Í¿ÉÒԵõ½32λִÐгÌÐò

ÔÚlinuxÏ¿ÉÒÔ Í¨¹ý¡¡file¡¡vasp¡¡À´²é¿´32λµ½µ×ÊÇ·ñ±àÒë³É¹¦

intel±àÒëÆ÷ 64 λfortran±àÒëÆ÷ºÃÏñÊÇÒÔifcΪĬÈÏĿ¼µÄ
32ΪifeΪĬÈÏĿ¼£¬½ö½öÊǺÃÏñ¶øÒÑ

º¯Êý¿âµÄ32λºÍ64λ×îÄÑÅжÏÁË£¬Ö»Óа²×°µÄʱºò¿´°²×°ÎļþÀïÃæµÄ¾ßÌåÐÅÏ¢ÁË¡£
9Â¥2009-11-29 16:04:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

ÒýÓûØÌû:
Originally posted by netx_ray at 2009-11-29 16:04:
Ô­À´±àÒë¹ý£¬

¾Ýµ±³õµÄ¾­Ñ飺

32λµÄ±àÒëÆ÷ + 32λµÄº¯Êý¿â£¨mkl,fftw£©¾Í¿ÉÒԵõ½32λִÐгÌÐò

ÔÚlinuxÏ¿ÉÒÔ Í¨¹ý¡¡file¡¡vasp¡¡À´²é¿´32λµ½µ×ÊÇ·ñ±àÒë³É¹¦

intel±àÒëÆ÷ 64 λfortran±àÒëÆ÷ºÃÏñÊÇ ...

Thank you so much. And, I have got it done.
10Â¥2009-12-01 14:01:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ cenwanglai µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 291 Çóµ÷¼Á +11 »¯¹¤2026½ì±ÏÒµÉ 2026-04-09 11/550 2026-04-09 20:59 by angeltong
[¿¼ÑÐ] 292Çóµ÷¼Á +8 ЦЦԬ 2026-04-09 8/400 2026-04-09 18:14 by 1753564080
[¿¼ÑÐ] 288Çóµ÷¼Á +11 ´úfish 2026-04-09 11/550 2026-04-09 17:59 by qluyyj
[¿¼ÑÐ] 296Çóµ÷¼Á +5 Íô£¡£¿£¡ 2026-04-09 5/250 2026-04-09 17:47 by ÄûÃʲ»Ëázy
[¿¼ÑÐ] 316Çóµ÷¼Á +3 Ïë¶ÁÑо¿Éú( ?¡ß 2026-04-07 3/150 2026-04-09 17:31 by wp06
[¿¼ÑÐ] 0860004 Çóµ÷¼Á 309·Ö +6 Yin DY 2026-04-09 6/300 2026-04-09 10:19 by °¡Àî999
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷ÄÏ´óѧÉúÎïѧѧ˶344 ÇóÉúÎïѧÏà¹Øµ÷¼Á/ÉúÎïÓëÒ½Ò© +7 ³¬È˲»»á·É@ 2026-04-08 7/350 2026-04-09 09:35 by gong120082
[¿¼ÑÐ] Ò»Ö¾Ô¸985³õÊÔ354·ÖÉúÎïµ÷¼Á +3 031001 2026-04-06 3/150 2026-04-09 00:30 by Evan_Liu
[¿¼ÑÐ] Èí¼þ¹¤³ÌÇóµ÷¼Á22Èí¹¤296·ÖÇóµ÷¼Á£¬½ÓÊÜ¿çµ÷ +4 yangchen2017 2026-04-08 5/250 2026-04-08 21:56 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 283Çóµ÷¼Á +19 A child 2026-04-04 19/950 2026-04-08 14:26 by xingguangj
[¿¼ÑÐ] 304Çóµ÷¼Á +10 ËØÄê¼ÀÓï 2026-04-06 17/850 2026-04-08 09:05 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 071000ÉúÎïѧ£¬Ò»Ö¾Ô¸ÉîÛÚ´óѧ296·Ö£¬Çóµ÷¼Á +12 TIckLw 2026-04-06 13/650 2026-04-07 20:34 by lijunpoly
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϿƴóÉúÎïѧ297·Ö£¬Çóµ÷¼ÁÍÆ¼ö +8 Y-yyusx 2026-04-06 9/450 2026-04-07 19:38 by biomichael
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +17 СÁõͬѧ߹߹ 2026-04-06 18/900 2026-04-07 11:41 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] »ªÄÏÀí¹¤0703»¯Ñ§£¬×Ü·Ö336Çóµ÷¼Á +10 ÊÖ»úÓû§ 2026-04-03 11/550 2026-04-06 22:20 by michael2011
[¿¼ÑÐ] 319Çóµ÷¼Á +4 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-03 4/200 2026-04-04 16:25 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 348·Ö»·¾³¹¤³Ì¡¤µ÷¼Á +10 ÎâÑå׿24k 2026-04-03 11/550 2026-04-04 14:19 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ±¾¿Æ985£¬×¨Òµ0812·Ö336Çóµ÷¼Á +4 ĪĪºÜÐÐ 2026-04-03 4/200 2026-04-03 21:31 by zhq0425
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-03 16:46 by wxiongid
[¿¼ÑÐ] 289-Çóµ÷¼Á +4 ÕâÀïÊÇ_ 2026-04-03 4/200 2026-04-03 14:23 by 1753564080
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û