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1.  Ì¨Ê½»úµÄϵͳĿǰÊÇUbuntu 12.04 ¸öÈË×ÀÃæ°æ£¬ÊÇ·ñ¿ÉÒÔ˳Àû°²×°wien2k£¿·ÇµÃÒª¸Ä³É·þÎñÆ÷Õýʽ°æÂ𣿣¿ÈôÒª¸ÄµÄ»°£¬ÈçºÎ²Ù×÷¿É½«Ubuntu 12.04  ¸öÈË×ÀÃæ°æ»»³É·þÎñÆ÷Õýʽ°æ £¿ÇëÓо­ÑéµÄ¸ßÊÖ¸æÖ®¡£

2.  ¹ØÓÚ´®ÐмÆË㣿»¹ÊÇkµã²¢ÐУ¿»¹ÊÇmpi²¢ÐУ¿WIEN2k- hardware/software¹Ù·½Ö¸ÄÏ2013ÄêÓÐÈçÏÂ×ÊÁÏ£º
 Intel I7 quad (six)-core processors with fast memory bus (1.5-3Gb/core, Gbit-network, SATA disks).
with a few such PCs you have a quite powerful cluster (k-parallel)
60 - 100 atom / cell, requires 2-4 Gb RAM
k-point Parallelization£º
mpi-parallelization£ºfor bigger cases (> 50 atoms) and more than 4 cores
ÎÒÏëÑо¿µÄÌåϵ´óÓÚ50¸öÔ­×Ó£¬ÇëÎʵ¥»ú£¨Ò»¸öcpu£¬4core+8G£©ÊÇ´®ÐмÆË㻹ÊDz¢ÐмÆË㣬ÈôÊDz¢ÐУ¬ÊÇk²¢Ðл¹ÊÇmpi²¢ÐУ¿¿¼Âǵ½¼ÆËãЧÂÊ¡£

3.  Èí¼þ±àÒëÀïÃæÓУºconfigure Parallel execution
Shared Memory Architecture? (y/n):ÇëÎÊÕâ¸öÊÇʲôÒâ˼£¿µ¥»úÀïÃæÓÐÁ½¸ö»ò¶à¸öcpuËãÊÇÕâÖֽṹÂ𣿣¿±¾È˵ĵ¥»úÖ»ÓÐÒ»¿Å£¬ÄÇÕâÀïÓ¦¸ÃÊÇn£¿
Remote shell (default is ssh) =
Do you have MPI and Scalapack installed and intend to run
finegrained parallel? (This is usefull only for BIG cases)!
(y/n)
´ÓÕâ¿ÉÒÔ¿´³ö£¬µ¥»úÊDz»ÐèÒªÔ¶³ÌµÇ¼µÄ£¿¿¼Âǵ½¼ÆËãЧÂʵϰ£¬µ¥»úÊÇ·ñÒ²¿É±¾µØµÇ¼£¿
4.  ÈôÈ·¶¨ÊDz¢ÐмÆË㣬¿¼Âǵ½±¾È˵ľßÌåÅäÖã¬ÇëÎÊ.machines ÎļþÈçºÎÊéд£¿

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letianhan: ½ð±Ò+20, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ 2014-08-08 15:14:59
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Serial benchmark: NMAT=3481, complex
Intel Core i7-3930K 3.20GHz       36 sec    composerxe-2013.4.183 (1 job with 1 thread)
Intel Core i7-3930K 3.20GHz       23 sec    composerxe-203.4.1831 (1 job with 2 thread)
Intel Core i7-3930K 3.20GHz       16 sec    composerxe-2013.4.183 (1 job with 4 thread)
Intel Core i7-3930K 3.20GHz       14 sec    composerxe-2013.4.183 (1 job with 6 thread)

Serial benchmark with parallel jobs (Tests the "real" performance under full load with a "k-parallel" job): NMAT=3481, complex

Intel Core i7-3930K 3.20GHz    composerxe-2013.4.183 (1 thread)
1 job: 37 sec;    2 jobs: 38 sec;   4 jobs: 47 sec;   6 jobs: 49 sec

Intel Core i7-3930K 3.20GHz    composerxe-2013.4.183 (2 threads)
1 job: 23 sec;    3 jobs: 39 sec;   6 jobs: 50 sec      
  
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[¿¼ÑÐ] 312Çóµ÷¼Á +8 İå·Ï£ 2026-03-16 9/450 2026-03-18 12:39 by Linda Hu
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +4 ioodiiij 2026-03-17 4/200 2026-03-18 12:36 by Linda Hu
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[¿¼ÑÐ] 302Çóµ÷¼Á +4 С¼Öͬѧ123 2026-03-15 8/400 2026-03-17 10:33 by С¼Öͬѧ123
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[¿¼ÑÐ] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] 070305Çóµ÷¼Á +3 mlpqaz03 2026-03-14 4/200 2026-03-15 11:04 by peike
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ì315·ÖÇóµ÷¼Á +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
[¿¼ÑÐ] Öпƴó²ÄÁÏÓ뻯¹¤319Çóµ÷¼Á +3 ÃÏöβÄÁÏ 2026-03-14 3/150 2026-03-14 20:10 by ms629
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[˶²©¼ÒÔ°] 085600 260·ÖÇóµ÷¼Á +3 Ìì¿Õ»¹ÏÂÓêô 2026-03-13 5/250 2026-03-13 18:46 by Ìì¿Õ»¹ÏÂÓêô
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