MS
甯歌闂鍙婅В绛?/p>
1
銆侀棶锛氱敤
MS
鏋勯�犳櫠浣撴椂瑕佸厛纭珛绌洪棿缇?/p>
,
鍙槸閭ｄ簺绌洪棿缇ょ殑浠ｇ爜鏄暐鎰忔�?/p>
鍟?/p>
,
鐪嬩笉鎳?/p>
,
鎴戞兂鍋氱殑鏄仛涔欑儻閱囩殑鏅朵綋
,
鍢垮樋
,
涔熶笉鐭ラ亾鍘诲摢鍙互鏌ュ埌瀹冪殑绌洪棿缇?/p>
绛旓細
A
銆佽鍋氭櫠浣擄紝棣栧厛瑕佹煡璇㈡櫠浣撴暟鎹紝鐒跺悗鍒╃敤鏅朵綋鏁版嵁鍐嶅缓绔嬫ā鍨嬨�傛櫠
浣撴暟鎹潵婧愪富瑕佹槸鏂囩尞锛屾垨鑰呬竴浜涙暟鎹簱锛屾瘮濡?/p>
CCDC
銆?/p>
锛堜綘閮戒笉鐭ラ亾杩欎釜鏅朵綋
鏄�庝箞鏍风殑锛屾�庝箞鎸囧畾绌洪棿缇ゅ憿锛熻鍙嶈繃鏉ュ仛浜嬫儏鍝︼細
锛?/p>
B
銆佹垜涓嶇煡閬撲綘鎸囩ず鐨勪唬鐮佹槸鏁板瓧浠ｇ爜杩樻槸瀛楁瘝浠ｇ爜
,
鏁板瓧浠ｇ爜瀹冨搴斾簡瀛楁瘝
鐨勪唬鐮侊紝鑰屽瓧姣嶇殑浠ｇ爜瀹冨惈鐩栦簡涓�浜涚兢璁虹殑鐭ヨ瘑
(
鏅剁郴
,
瀵圭О鎿嶄綔绛?/p>
),
濡傛灉瑕佸叿浣?/p>
浜嗚В浣犵殑鐗╄川鎴栬�呮潗鏂欏睘浜庨偅涓�涓兢锛屼綘鍙互鏌ラ槄涓�涓嬬浉鍏崇殑鎵嬪唽
,
褰撶劧浣犺浜?/p>
瑙ｄ竴浜涘熀鏈殑缇よ鐭ヨ瘑
.MS
鑷甫浜嗕竴浜涙潗鏂欑殑鏅朵綋缁撴瀯
,
浣犲彲浠ユ煡璇竴涓?/p>
.
2
銆侀棶锛氬悇浣嶉珮鎵嬶紝鎴戠敤
ms
涓殑
castep
杩涜杩愮畻銆傛棤璁?/p>
cpu
鏄嚑涓牳蹇冿紝瀹?/p>
鍙湁涓�涓牳蹇冨湪宸ヤ綔銆傝繖涓�庝箞瑙ｅ喅鍛紵
绛旓細璇峰厛纭浠ヤ笅鍑犱釜闂锛?/p>
1
锛屽湪浠�涔堢郴缁熶笅瑁咃紝鏄惁瑁呬簡骞惰鐗堟湰銆?/p>
2
锛岃绠楁椂璁剧疆鍙傛暟鐨勫湴鏂规槸鍚﹂�夋嫨浜嗗苟琛屻�?/p>
3
锛岀▼搴忚繍绠楁椂锛屽苟涓嶆槸鏃舵椂鍒诲埢閮借鐢ㄥ埌澶氫釜
CPU
3
銆侀棶锛氭垜宸茬粡鎴愬姛鍦板畨瑁呬簡
MS3.1
鐨?/p>
Linux
鐗堟湰锛?/p>
涓茶鐨?/p>
DMol3
鍙互鎴愬姛杩愯銆?/p>
浣嗘槸杩愯骞惰鐨勬椂鍊欏嚭閿欍�?/p>
鏈哄櫒鏄弻
Xeon5320(
鍥涙牳
)
鏈嶅姟鍣紝
rsh
鍜?/p>
rlogin
鍧囧紑鍚紝
RHEL4.6
绯荤粺銆?/p>
鍏朵腑
hosts.equiv
鐨勫唴瀹瑰涓嬶細
localhost
ibm-c*****ole
machines.LINUX
鐨勫唴瀹瑰涓嬶細
localhost:8
鐜板湪杩愯
RunDMol3.sh
鏃讹紝鑴氭湰鍋滃湪