²é¿´: 1862  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

uuv2010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÓÅÐã°æÖ÷

[ÇóÖú] ÇóCPMDÔ´Âë¼°°²×°Îļþ~

¸Õ¿ªÊ¼×¼±¸Ñ§Ï°CPMD£¬ÔÚCPMDµÄÖ÷Ò³ÉϽøÐÐÁËÉêÇ룬µ«ÊDz»ÖªµÀÔõô²ÅÄܵǼ£¬ËùÒÔ»¹ÊÇÔÚ°æÉÏÏò´ó¼ÒÇóÒ»¸öCPMDµÄ°²×°Îļþ°É£¬ÕâÑù¿ÉÄÜ»á¸ü¿ìһЩ¡£ÓÐCPMDÔ´Âë¼°°²×°ÎļþµÄ³æ×ÓÃÇ£¬¸øÎÒÒ»·Ý°²×°Ô´Âë°É£¬¶àл¶àл£¡
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

uuv2010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÓÅÐã°æÖ÷

ÒýÓûØÌû:
7Â¥: Originally posted by pigrass at 2013-06-27 22:55:57


´¿´âÌṩ¿ÉÒԲο¼µÄÌû×Ó

http://muchong.com/bbs/viewthread.php?tid=2325284

ÓÃÈçϵÄMakefile¿ÉÒÔ±àÒë³É¹¦£¬ºÇºÇ
CODE:
SRC  = .
DEST = .
BIN  = .
FFLAGS = -c -w90 -w95 -O3 -unroll -pc64  -cm
LFLAGS =  -L/opt/intel/mkl/10.0.3.020/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
CFLAGS = -c -O2 -Wall
CPP = /lib/cpp -P -C -traditional

CPPFLAGS = -D__Linux -D__PGI -DFFT_DEFAULT -DPOINTER8 \
-DPARALLEL -DMYRINET -DLINUX_IFC
NOOPT_FLAG =
FFLAGS_GROMOS = -Dgood_luck
CC = mpicc
FC = mpif77
LD = mpif77
AR = ar
#----------------------------------------------------------------------------
# Personal Configuration
#----------------------------------------------------------------------------
#----------------------------------------------------------------------------
# End of Personal Configuration
#----------------------------------------------------------------------------
CFGDEST = .
CFGMACH = LINUX-x86_64-FEDORA-MPI
CFGQMMM =

8Â¥2013-06-28 10:37:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

uuv2010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÓÅÐã°æÖ÷

ÎÒÏÂÔØÁËÒ»·ÝÔ´Â룬µ«ÊÇûÓÐmakefile°¡£¬ÎØÎØÎØ¡­¡­

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : cpmd3[1].13_2.tar.gz
  • 2013-06-27 11:39:01, 3.61 M
2Â¥2013-06-27 11:39:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

pigrass

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

ÒÁ¿¨Ë¹ÌصÄСÖí

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
uuv2010: ½ð±Ò+10, ¡ïÓаïÖú, ¶àл°ïÖú 2013-06-27 23:24:12
cpmd¹ÙÍøÓÐÒ»·Ýmanual£¬²»ÖªµÀÓÐûÓÐÓÃ

http://cpmd.org/documentation

Installation¶ÎºÜ³¤£¬¾Í²»Ò»Ò»½ØÈ¡ÁË¡£¡£

6 Installation
This version of CPMD is equipped with a shell script to create a Makefile for a number of given
platforms. If you run the shell script mkconfig.sh (NOTE: this script was previously named
Configure) without any options it will tell you what platforms are available. Choose the label for
a target platform close to what your machine is and run the script again.
# ./mkconfig.sh PLATFORM > Makefile
#ÓÐÎÊÌâ·¢ÂÛ̳£¬²»½ÓÊÜ˽ÁÄ#°®¾§Ì壬°®MaterialsStudio#MSר¼­µã»÷ÓÒ±ß#http://emuch.net/taotie/41673.html#ÎïÐÔÊý¾Ý#http://webbook.nist.gov/chemistry/#
3Â¥2013-06-27 14:55:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

uuv2010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÓÅÐã°æÖ÷

º¹~
Ô­À´mkconfig.sh¾ÍÊÇSOURCEĿ¼ÏÂ
4Â¥2013-06-27 21:18:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] ÃæÉÏÒâ¼û³öÀ´ÁË +4 »ÆÄñÓÚ·ÉChao 2026-08-29 8/400 2026-08-29 14:50 by »ÆÄñÓÚ·ÉChao
[¹«Åɳö¹ú] ÊÛSCIÎÄÕ£¬ÎÒ:8O.5.5.1O.54,¿ÆÄ¿È«,¿ÉÊ®¼± +3 ASdOkHsho7FD 2026-08-28 5/250 2026-08-29 14:23 by jCd0dEvKHShX
[¿¼²©] ÊÛSCIÒ»ÇøT0PÎÄÕ£¬ÎÒ:8.O.55.1.O54,¿ÆÄ¿È«,¿ÉÙ¤¼± +4 ASdOkHsho7FD 2026-08-28 7/350 2026-08-29 14:15 by jCd0dEvKHShX
[ÕÒ¹¤×÷] ÊÛSCIÎÄÕ£¬ÎÒ:8O5.5.1.O.54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 ASdOkHsho7FD 2026-08-28 6/300 2026-08-29 11:51 by jCd0dEvKHShX
[¿¼ÑÐ] ÊÛÒ»ÇøSCIÎÄÕÂT0P£¬ÎÒ:8O.551.O54,¿ÆÄ¿È«,¿ÉÊ®¼± +4 ASdOkHsho7FD 2026-08-28 6/300 2026-08-29 11:40 by jCd0dEvKHShX
[»ù½ðÉêÇë] ÖÐÇà»ùÁËÒª·¢ÅóÓÑȦÂ𣿠+3 349506619 2026-08-28 3/150 2026-08-29 10:49 by ľ·ç9012
[½Ìʦ֮¼Ò] ÊÛSCI-T0PÎÄÕ£¬ÎÒ:8O.5.5.1.O.54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 ASdOkHsho7FD 2026-08-28 7/350 2026-08-29 09:26 by G6APbkg8SA6w
[»ù½ðÉêÇë] Ϊʲô×ÊÖúÊý¸÷´ó¸ßУ¶¼´´Ð¸ߣ¬×Ô¼ºÉêÇëÔõô¾ÍÕâôÄÑ +12 Kittylucky 2026-08-27 13/650 2026-08-29 00:04 by superceng
[»ù½ðÉêÇë] ÓÐûÓÐÈÔûÊÕµ½ÐÅÏ¢µÄ +3 µÂÉÐÖÐÐÐ 2026-08-27 3/150 2026-08-28 15:24 by rongshuxia
[»ù½ðÉêÇë] »ù½ð²»ÖУ¬¹²Ãã +11 eulota 2026-08-26 11/550 2026-08-28 14:22 by »ðÐdz¬ÈËxi
[»ù½ðÉêÇë] ÉêÇëɾ³ý±¾Ìû +6 lyz123lyz 2026-08-27 7/350 2026-08-27 17:31 by Äþ¾²ÖÂÔ¶sy
[»ù½ðÉêÇë] Ôõô¿´Çà»ùÖÐÁËûÓа¡ +5 Ò¶¾Å΢ 2026-08-26 5/250 2026-08-27 10:35 by l_zh2008
[»ù½ðÉêÇë] 2026Äê8ÔÂ25ÈÕ¹ú×ÔÈ»·Å°ñǰͻȻÊÕµ½ÁÐÈëÆÀÉóר¼ÒÓʼþ£¬ÓйØÏµÂ𣿠+25 ľˮ˼¶¹ 2026-08-25 28/1400 2026-08-26 14:53 by draco1987
[»ù½ðÉêÇë] Ϊʲô¹ú×ÔÈ»²»ÄÜÖ±½Ó¹«²¼ +4 bjdxyxy 2026-08-26 4/200 2026-08-26 13:12 by qingmu1201
[»ù½ðÉêÇë] ¹úºÏÀïÃæÄÜ¿´µ½ÁË +7 Ò»»³Ü°Çï 2026-08-26 7/350 2026-08-26 11:23 by zhaosm1982
[»ù½ðÉêÇë] ϵͳ½ø²»È¥ +4 yanglien 2026-08-26 5/250 2026-08-26 11:10 by wenfengw83
[Ö°³¡ÈËÉú] ѧÉúײ¼û¸¨µ¼Ô±ËÍÍâÂô£¬µÚ¶þÌìÈ«°à¶¼³ÁĬÁË +3 ¾¨ÓãÈÚ½ð_Õã½­_É 2026-08-22 3/150 2026-08-26 09:01 by zzuzxg
[»ù½ðÉêÇë] ¹úºÏÏÖÔڲ鲻µ½ÁËÂ𣿠+10 chengyan1220 2026-08-24 20/1000 2026-08-26 08:57 by peasantsprig
[»ù½ðÉêÇë] Å£À´£¡Ã×À´£¡ÃæÀ´£¡ +8 beefly 2026-08-26 8/400 2026-08-26 08:37 by xuzhipiao
[»ù½ðÉêÇë] Èç¹û´Ë¿ÌÄãÕýÔÚΪ¹ú»ù¸Ðµ½½¹ÂÇ£¬²»·ÁÀ´ÌýÌýÕâÊס¶»ù½ðÖ®Íâ¡· +8 scalable 2026-08-24 8/400 2026-08-25 12:52 by jnhyjjm
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û