 |
 |
 |
| 24小時熱門版塊排行榜 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 2069 | 回復(fù): 11 | ||
| 當(dāng)前只顯示滿足指定條件的回帖，點(diǎn)擊這里查看本話題的所有回帖 | ||
gaarakingBMY銅蟲 (初入文壇)
|
[求助]
vasp編譯 已有2人參與
|
|
|
系統(tǒng)：CentOS6.5 編譯器：ifort2011.6.233 并行環(huán)境： openmpi1.4.4 vasp版本 ：vasp5.2.11 fftw庫：3.3.4 我的問題是： 1. 我需要安裝mkl數(shù)學(xué)庫么？但是 我查了下 mkl 顯示如附圖，不知ifort是否自帶了mkl數(shù)據(jù)庫？ 2.編譯vasPlib時 出下如下問題 不知是為何？ 附上我的 makefile： .SUFFIXES: .inc .f .F #----------------------------------------------------------------------- # Makefile for Portland Group F90/HPF compiler # the makefile was tested only under Linux on Intel platforms # however it might work on other platforms as well # # this release of vasp.4.lib contains lapack v2.0 # this can be compiled with pgf90 compiler if the option -O1 is used # # Mind: one user reported that he had to copy preclib.F diolib.F # dlexlib.F and drdatab.F to the directory vasp.4.4, compile the files # there and link them directly into vasp # for no obvious reason these files could not be linked from the library # #----------------------------------------------------------------------- # C-preprocessor CPP = gcc -E -P -C $*.F >$*.f FC=ifort CFLAGS = -O FFLAGS = -O0 -FI FREE = -FR DOBJ = preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o #----------------------------------------------------------------------- # general rules #----------------------------------------------------------------------- libdmy.a: $(DOBJ) lapack_double.o linpack_double.o lapack_atlas.o -rm libdmy.a ar vq libdmy.a $(DOBJ) # files which do not require autodouble lapack_min.o: lapack_min.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_min.f lapack_double.o: lapack_double.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_double.f lapack_single.o: lapack_single.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_single.f lapack_atlas.o: lapack_atlas.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_atlas.f linpack_double.o: linpack_double.f $(FC) $(FFLAGS) $(NOFREE) -c linpack_double.f linpack_single.o: linpack_single.f $(FC) $(FFLAGS) $(NOFREE) -c linpack_single.f .c.o: $(CC) $(CFLAGS) -c $*.c .F.o: $(CPP) $(FC) $(FFLAGS) $(FREE) $(INCS) -c $*.f .F.f: $(CPP) .f.o: $(FC) $(FFLAGS) $(FREE) $(INCS) -c $*.f 請高人指教下 謝謝. 圖片1.png 圖片2.png |
回復(fù)此樓» 猜你喜歡
求材料，環(huán)境專業(yè)調(diào)劑
已經(jīng)有3人回復(fù)
-
335求調(diào)劑
已經(jīng)有5人回復(fù)
-
求調(diào)劑
已經(jīng)有7人回復(fù)
-
一志愿吉大化學(xué)322求調(diào)劑
已經(jīng)有4人回復(fù)
-
環(huán)境學(xué)碩288求調(diào)劑
已經(jīng)有8人回復(fù)
-
341求調(diào)劑(一志愿湖南大學(xué)070300)
已經(jīng)有6人回復(fù)
-
一志愿北京化工大學(xué) 070300 學(xué)碩 336分 求調(diào)劑
已經(jīng)有7人回復(fù)
-
299求調(diào)劑
已經(jīng)有5人回復(fù)
-
306求0703調(diào)劑一志愿華中師范
已經(jīng)有8人回復(fù)
-
一志愿河北工業(yè)大學(xué)0817化工278分求調(diào)劑
已經(jīng)有11人回復(fù)
gaarakingBMY
銅蟲 (初入文壇)
- 應(yīng)助: 4 (幼兒園)
- 金幣: 21.8
- 帖子: 43
- 在線: 36.8小時
- 蟲號: 2441263
- 注冊: 2013-04-29
- 專業(yè): 金屬非晶態(tài)、準(zhǔn)晶和納米晶
3樓2014-08-04 10:33:31
2樓2014-08-04 10:11:53
4樓2014-08-04 10:57:10
gaarakingBMY
銅蟲 (初入文壇)
- 應(yīng)助: 4 (幼兒園)
- 金幣: 21.8
- 帖子: 43
- 在線: 36.8小時
- 蟲號: 2441263
- 注冊: 2013-04-29
- 專業(yè): 金屬非晶態(tài)、準(zhǔn)晶和納米晶
|
root@localhost vasp.5.lib]# make -f makefile.linux_ifc_P4_zxfang ifort -O0 -FI -FR -c preclib.f cc -O -c timing_.c cc -O -c derrf_.c cc -O -c dclock_.c gcc -E -P -C diolib.F >diolib.f gcc: error trying to exec 'f951': execvp: No such file or directory make: *** [diolib.o] Error 1 [root@localhost vasp.5.lib]# cp diolib.F diolib.f cp: overwrite `diolib.f'? y [root@localhost vasp.5.lib]# make -f makefile.linux_ifc_P4_zxfang ifort -O0 -FI -FR -c diolib.f gcc -E -P -C dlexlib.F >dlexlib.f gcc: error trying to exec 'f951': execvp: No such file or directory make: *** [dlexlib.o] Error 1 [root@localhost vasp.5.lib]# cp dlexlib.F diolib.f cp: overwrite `diolib.f'? y [root@localhost vasp.5.lib]# make -f makefile.linux_ifc_P4_zxfang ifort -O0 -FI -FR -c diolib.f diolib.f(6): warning #5117: Bad # preprocessor line #ifdef LONGCHAR -^ diolib.f(13): warning #5117: Bad # preprocessor line #endif -^ diolib.f(19): warning #5117: Bad # preprocessor line #ifdef LONGCHAR -^ diolib.f(23): warning #5117: Bad # preprocessor line #else -^ diolib.f(26): warning #5117: Bad # preprocessor line #endif -^ diolib.f(30): warning #5117: Bad # preprocessor line #ifdef LONGCHAR -^ diolib.f(184): warning #5117: Bad # preprocessor line #endif -^ diolib.f(24): error #6205: This object has already been SAVEd. [B5] SAVE B5,B6,B7,B8 ----------------------^ diolib.f(24): error #6205: This object has already been SAVEd. [B6] SAVE B5,B6,B7,B8 -------------------------^ diolib.f(24): error #6205: This object has already been SAVEd. [B7] SAVE B5,B6,B7,B8 ----------------------------^ diolib.f(24): error #6205: This object has already been SAVEd. [B8] SAVE B5,B6,B7,B8 -------------------------------^ diolib.f(288): warning #5117: Bad # preprocessor line #ifdef LONGCHAR -^ diolib.f(290): warning #5117: Bad # preprocessor line #else -^ diolib.f(292): warning #5117: Bad # preprocessor line #endif -^ diolib.f(337): warning #5117: Bad # preprocessor line #ifdef LONGCHAR -^ diolib.f(339): warning #5117: Bad # preprocessor line #else -^ diolib.f(341): warning #5117: Bad # preprocessor line #endif -^ diolib.f(291): error #6418: This name has already been assigned a data type. [BUFFER] CHARACTER*255 BUFFER,FORM,NUMBER,DUMMY --------------------^ diolib.f(291): error #6418: This name has already been assigned a data type. [FORM] CHARACTER*255 BUFFER,FORM,NUMBER,DUMMY ---------------------------^ diolib.f(291): error #6418: This name has already been assigned a data type. [NUMBER] CHARACTER*255 BUFFER,FORM,NUMBER,DUMMY --------------------------------^ diolib.f(291): error #6418: This name has already been assigned a data type. [DUMMY] CHARACTER*255 BUFFER,FORM,NUMBER,DUMMY ---------------------------------------^ compilation aborted for diolib.f (code 1) make: *** [diolib.o] Error 1 [root@localhost vasp.5.lib]# 問題還是會出現(xiàn)。。。 我說的就是這個會被中止（aborted），總覺得這樣治標(biāo)不治本，以前都不會出現(xiàn)這種問題。 |
5樓2014-08-04 14:54:05
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 一志愿國科過程所081700，274求調(diào)劑 +3 | 三水研0水立方 2026-03-23 | 3/150 |
|
|---|---|---|---|---|
|
[考研] 335分 | 材料與化工專碩 | GPA 4.07 | 有科研經(jīng)歷 +4 | cccchenso 2026-03-23 | 4/200 |
|
|
|
[考研] 361求調(diào)劑 +3 | Glack 2026-03-22 | 3/150 |
|
|
|
[考研] 考研化學(xué)308分求調(diào)劑 +7 | 你好明天你好 2026-03-23 | 8/400 |
|
|
|
[考研] 上海電力大學(xué)材料防護(hù)與新材料重點(diǎn)實(shí)驗(yàn)室招收調(diào)劑研究生（材料、化學(xué)、電化學(xué)，環(huán)境） +3 | 我愛學(xué)電池 2026-03-23 | 3/150 |
|
|
|
[論文投稿] 急發(fā)核心期刊論文 +3 | 賢達(dá)問津 2026-03-23 | 5/250 |
|
|
|
[考研] 317求調(diào)劑 +12 | 申子申申 2026-03-19 | 18/900 |
|
|
|
[考研] 材料與化工085600，總分304，本科有兩篇sci參與，求調(diào)劑 +4 | 幸運(yùn)的醬醬 2026-03-22 | 5/250 |
|
|
|
[考研] 289求調(diào)劑 +7 | 懷瑾握瑜l 2026-03-20 | 7/350 |
|
|
|
[考研] 求調(diào)劑院校信息 +6 | CX 330 2026-03-21 | 6/300 |
|
|
|
[考研] 280求調(diào)劑 +11 | 咕嚕曉曉 2026-03-18 | 12/600 |
|
|
|
[考研]
 一志愿東華大學(xué)控制學(xué)碩320求調(diào)劑
+3
|
Grand777 2026-03-21 | 3/150 |
|
|
|
[考研] 0805 316求調(diào)劑 +3 | 大雪深藏 2026-03-18 | 3/150 |
|
|
|
[考研] 求調(diào)劑 +3 | .m.. 2026-03-21 | 4/200 |
|
|
|
[考研] 一志愿重慶大學(xué)085700資源與環(huán)境專碩，總分308求調(diào)劑 +3 | 墨墨漠 2026-03-18 | 3/150 |
|
|
|
[考研] 295求調(diào)劑 +4 | 一志愿京區(qū)211 2026-03-18 | 6/300 |
|
|
|
[考研] 一志愿南昌大學(xué)，327分，材料與化工085600 +9 | Ncdx123456 2026-03-19 | 9/450 |
|
|
|
[考研]
320求調(diào)劑0856
+3
|
不想起名字112 2026-03-19 | 3/150 |
|
|
|
[考研] 288求調(diào)劑，一志愿華南理工大學(xué)071005 +5 | ioodiiij 2026-03-17 | 5/250 |
|
|
|
[考研] 【同濟(jì)軟件】軟件（085405）考研求調(diào)劑 +3 | 2026eternal 2026-03-18 | 3/150 |
|