²é¿´: 2466  |  »Ø¸´: 26
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

zytcv

Òø³æ (СÓÐÃûÆø)

[ÇóÖú] µ¥»ú¶àºËÒ»¸öcpuµÄ´®Ðв¢ÐÐÇóÖú

¸÷λǰ±²£¬Ð¡µÜ¸Õ¸Õ½Ó´¥vasp£¬ÊµÑéÊҵķþÎñÆ÷ÊÇ8ºËµÄ£¬²»È·¶¨ÊÇÒ»¸ö»¹ÊÇÁ½¸öcpu£¬ÇëÎÊÐè²»ÐèÒª°²×°mpi°¡£¿Èç¹û²»°²×°£¬ÊDz»ÊǾ͵ÈÓÚÊÇÓÃÒ»¸öºË¼ÆËã°¡£¿ÕæÐĵĺÜÀ§ÈÅ...ÏÈÔÚ´Ëл¹ý¸÷λÁË£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

hakuna

ľ³æ (ÖªÃû×÷¼Ò)

ÒýÓûØÌû:
6Â¥: Originally posted by dxf_dxf_dxf at 2012-05-25 15:24:29
VASP is an application for performing ab-initio quantum-mechanical molecular dynamics (MD) calculations using pseudopotentials and a plane wave basis set. Currently it is the most frequently used DF ...

ÕâÀïµÄvasp²âÊÔ½á¹û²»¾ÍÊÇOPEMMPIÉϵÄÂð
7Â¥2012-05-25 22:30:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 27 ¸ö»Ø´ð

hakuna

ľ³æ (ÖªÃû×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+1, ллָ½Ì 2012-05-24 20:47:40
²¢Ðеϰ¿Ï¶¨ÐèÒªMPI£¬²¢ÇÒ°´²¢Ðз½Ê½±àÒë²Å¿ÉÒÔ....
Èç¹û²»ÊDZØÐë²¢ÐУ¬Æ©Èç×öNEB»ò´óÌåϵ¼ÆËã»ò¸Ïʱ¼ä£¬ÄǾÍÎÞËùνÁË£¬Äã¿ÉÒÔͬʱ¶à¼Ó¼¸¸ö×÷Òµ....
2Â¥2012-05-24 08:54:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dxf_dxf_dxf

Òø³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+2, лл»ØÌû£¡ 2012-05-24 20:48:07
zytcv: ½ð±Ò+5, ¡ïÓаïÖú 2012-05-31 17:21:27
Èç¹ûÄãÏëÓöà¸ö½ø³Ìͬʱ¼ÆË㣬¾ÍÐèҪʹÓÃMPI¡£VASPÊDz»Ö§³ÖOpenMPµÄ¡£
Èç¹ûÄã²»°²×°MPI£¬Ò»¸ö¼ÆËãÈÎÎñ¾ÍÖ»ÓÐÒ»¸ö½ø³Ì¡£
BTW£¬ÎÊÒ»¾äCPUµÄ¸öÊýºÍºËµÄ¸öÊý²»Ò»Ñù°¡£¿
3Â¥2012-05-24 19:20:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hakuna

ľ³æ (ÖªÃû×÷¼Ò)

ÒýÓûØÌû:
3Â¥: Originally posted by dxf_dxf_dxf at 2012-05-24 19:20:06:
Èç¹ûÄãÏëÓöà¸ö½ø³Ìͬʱ¼ÆË㣬¾ÍÐèҪʹÓÃMPI¡£VASPÊDz»Ö§³ÖOpenMPµÄ¡£
Èç¹ûÄã²»°²×°MPI£¬Ò»¸ö¼ÆËãÈÎÎñ¾ÍÖ»ÓÐÒ»¸ö½ø³Ì¡£
BTW£¬ÎÊÒ»¾äCPUµÄ¸öÊýºÍºËµÄ¸öÊý²»Ò»Ñù°¡£¿

"VASPÊDz»Ö§³ÖOpenMPµÄ."
ÕâÊÇÄÄÀïÀ´µÄÏûÏ¢£¿
4Â¥2012-05-25 08:47:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 08¹¤Ñ§µ÷¼Á +3 Óû§573181 2026-03-20 3/150 2026-03-20 10:22 by 1027_324
[¿¼ÑÐ] 298-Ò»Ö¾Ô¸Öйúũҵ´óѧ-Çóµ÷¼Á +8 ÊÖ»úÓû§ 2026-03-17 8/400 2026-03-20 09:32 by ½ÁæÔ½
[¿¼ÑÐ] 317Çóµ÷¼Á +3 Éê×ÓÉêÉê 2026-03-19 7/350 2026-03-20 08:53 by Éê×ÓÉêÉê
[¿¼ÑÐ] 281Çóµ÷¼Á£¨0805£© +11 ÑÌÏ«Ò亣 2026-03-16 21/1050 2026-03-20 08:45 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ²ÄÁÏѧ˶318Çóµ÷¼Á +5 February_Feb 2026-03-19 5/250 2026-03-19 23:51 by 23Postgrad
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +10 ÄÝÄÝninicgb 2026-03-15 14/700 2026-03-19 22:59 by ѧԱ8dgXkO
[¿¼ÑÐ] ÉúÎïѧµ÷¼ÁÕÐÈË£¡£¡£¡ +3 ɽº£Ììá° 2026-03-17 4/200 2026-03-19 21:34 by ÔõôÊÍ»³
[½Ìʦ֮¼Ò] ½¹ÂÇ +9 Ë®±ùÔÂÔÂÒ°Íà 2026-03-13 13/650 2026-03-19 09:50 by otani
[¿¼ÑÐ] ±¾¿ÆÖ£ÖÝ´óѧÎïÀíѧԺ£¬Ò»Ö¾Ô¸»ª¿Æ070200ѧ˶£¬346Çóµ÷¼Á +4 ÎÒ²»ÊÇÒ»¸ù´Ð 2026-03-18 4/200 2026-03-19 09:11 by ¸¡ÔÆ166
[¿¼ÑÐ] 304Çóµ÷¼Á +12 СÐÜjoy 2026-03-14 13/650 2026-03-18 12:34 by Linda Hu
[¿¼ÑÐ] 280Çóµ÷¼Á +6 ¹¾ààÏþÏþ 2026-03-18 7/350 2026-03-18 11:25 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 334Çóµ÷¼Á +3 Ö¾´æ¸ßÔ¶ÒâÔÚ»úÐ 2026-03-16 3/150 2026-03-18 08:34 by lm4875102
[¿¼ÑÐ] ¿¼Ñл¯Ñ§Ñ§Ë¶µ÷¼Á£¬Ò»Ö¾Ô¸985 +4 ÕÅvvvv 2026-03-15 6/300 2026-03-17 17:15 by ruiyingmiao
[¿¼ÑÐ] 332Çóµ÷¼Á +6 Zz°æ 2026-03-13 6/300 2026-03-17 17:03 by ruiyingmiao
[¿¼ÑÐ] [µ¼Ê¦ÍƼö]Î÷ÄϿƼ¼´óѧ¹ú·À/²ÄÁϵ¼Ê¦ÍƼö +3 ¼â½ÇСºÉ 2026-03-16 6/300 2026-03-16 23:21 by ¼â½ÇСºÉ
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ì315·ÖÇóµ÷¼Á +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
[¿¼ÑÐ] ±¾¿ÆÄϾ©´óѧһ־Ը´¨´óҩѧ327 +3 ÂóÌï¸ûÕß 2026-03-14 3/150 2026-03-14 20:04 by ÍâÐÇÎÄÃ÷
[¿¼ÑÐ] 330Çóµ÷¼Á +3 ?½´¸øµ÷¼Á¹òÁË 2026-03-13 3/150 2026-03-14 10:13 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û