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[Gaussian/gview] 纯净版G09d的Intel快速编译指南

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本帖最后由 smutao 于 2016-3-1 06:15 编辑

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来自 36#
 楼主 Author| 发表于 Post on 2016-2-25 01:07:36 | 只看该作者 Only view this author
本帖最后由 smutao 于 2016-2-25 22:04 编辑

大伙注意这边
  1. BLAS = $(MKLLIB)/libmkl_solver_ilp64.a -Wl,--start-group $(MKLLIB)/libmkl_intel_ilp64.a $(MKLLIB)/libmkl_intel_thread.a $(MKLLIB)/libmkl_core.a -Wl,--end-group -lpthread
复制代码

很可能新版的Intel编译器没有 libmkl_solver_ilp64.a 这样的话写成
BLAS = $(MKLLIB)/libmkl_intel_ilp64.a -Wl,--start-group $(MKLLIB)/libmkl_intel_ilp64.a $(MKLLIB)/libmkl_intel_thread.a $(MKLLIB)/libmkl_core.a -Wl,--end-group -lpthread

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38#
发表于 Post on 2016-3-6 10:55:16 | 只看该作者 Only view this author
北纬18° 发表于 2016-1-27 12:31
#################################################################################################### ...

可能你的脚本自动跳过了gausplit,那是高斯编译中的一个“重要”的程序。

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37#
发表于 Post on 2016-2-25 20:19:03 | 只看该作者 Only view this author
卡开发发 发表于 2015-11-11 21:37
第二页好像有个g09A(已确认)


非常感谢!!!

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35#
发表于 Post on 2016-1-31 21:52:12 | 只看该作者 Only view this author
谁有代码?

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34#
 楼主 Author| 发表于 Post on 2016-1-30 22:33:50 | 只看该作者 Only view this author
abdoman 发表于 2016-1-30 19:35
说得太简单了吧。
试过intel gcc 差点没把人搞死。。
要不要mkl库文件,参数,很微妙。。。

gcc就别弄了
还是intel或者pgi吧

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33#
发表于 Post on 2016-1-30 19:35:49 | 只看该作者 Only view this author
说得太简单了吧。
试过intel gcc 差点没把人搞死。。
要不要mkl库文件,参数,很微妙。。。

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32#
发表于 Post on 2016-1-29 00:20:19 | 只看该作者 Only view this author
smutao 发表于 2016-1-29 00:10
还有一个办法就是问别人要一份这个文件 放到自己电脑 试试

我遇到的错误是因为mkl没有libmkl_solver_ilp64.a 文件???

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31#
 楼主 Author| 发表于 Post on 2016-1-29 00:10:25 | 只看该作者 Only view this author
北纬18° 发表于 2016-1-28 06:24
新版中mkl没有libmkl_solver_ilp64.a 文件

还有一个办法就是问别人要一份这个文件 放到自己电脑 试试

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30#
 楼主 Author| 发表于 Post on 2016-1-29 00:08:20 | 只看该作者 Only view this author
北纬18° 发表于 2016-1-28 06:24
新版中mkl没有libmkl_solver_ilp64.a 文件

以前好像遇到过相同的问题
后来就直接不用了 换到了现在的intel编译器
确实是因为版本不一样了
想办法用老版的intel试试
感觉不同版本差别不会很大

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29#
发表于 Post on 2016-1-28 06:24:24 | 只看该作者 Only view this author
smutao 发表于 2016-1-28 03:07
从头重新弄试试。。。

新版中mkl没有libmkl_solver_ilp64.a 文件

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28#
发表于 Post on 2016-1-28 04:27:17 | 只看该作者 Only view this author
smutao 发表于 2016-1-28 03:07
从头重新弄试试。。。

试过了,还是一样啊。。。。。。

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27#
 楼主 Author| 发表于 Post on 2016-1-28 03:07:47 | 只看该作者 Only view this author
北纬18° 发表于 2016-1-28 01:31
#################################################################################################### ...

从头重新弄试试。。。

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26#
发表于 Post on 2016-1-28 01:31:36 | 只看该作者 Only view this author
#########################################################################################################
/opt/intel/composer_xe_2015.6.233/bin/intel64/ifort -L/opt/intel/composer_xe_2015.6.233/compiler/lib/intel64 -WB -i8 -w -ftz -fp-relaxed -static-intel -fp_speculation=safe  -openmp -fpp2 -auto   -fpemu=silent -O3 -o g09 ml0.o   util.a -Wl,--start-group /opt/intel/composer_xe_2015.6.233/mkl/lib/intel64/libmkl_intel_ilp64.a /opt/intel/composer_xe_2015.6.233/mkl/lib/intel64/libmkl_intel_thread.a /opt/intel/composer_xe_2015.6.233/mkl/lib/intel64/libmkl_core.a -Wl,--end-group -lpthread
ml0.o: In function `MAIN__':
ml0.f:(.text+0x5c5): undefined reference to `linend_'
ml0.f:(.text+0x7a7): undefined reference to `linend_'
ml0.f:(.text+0xb15): undefined reference to `linend_'
ml0.f:(.text+0xba8): undefined reference to `linend_'
ml0.f:(.text+0xbe2): undefined reference to `linend_'
ml0.o:ml0.f:(.text+0xc43): more undefined references to `linend_' follow
util.a(chain.o): In function `chain_':
chain.f:(.text+0x123): undefined reference to `lbit1_'
chain.f:(.text+0x132): undefined reference to `lbit1_'
chain.f:(.text+0x81f): undefined reference to `linend_'
util.a(chainx.o): In function `chainx_':
chainx.f:(.text+0xae): undefined reference to `lbit1_'
chainx.f:(.text+0x4dd): undefined reference to `strout_'
chainx.f:(.text+0x5a9): undefined reference to `rwmol_'
util.a(cpname.o): In function `cpname_':
cpname.f:(.text+0x1b): undefined reference to `linend_'
cpname.f:(.text+0x63): undefined reference to `linend_'
cpname.f:(.text+0x106): undefined reference to `linend_'
cpname.f:(.text+0x14b): undefined reference to `linend_'
util.a(drum.o): In function `drum_':
drum.f:(.text+0x235): undefined reference to `lbit1_'
drum.f:(.text+0x2a4): undefined reference to `rwmol_'
drum.f:(.text+0x426): undefined reference to `strout_'
drum.f:(.text+0x59c): undefined reference to `lbit1_'
drum.f:(.text+0x6cc): undefined reference to `linend_'
drum.f:(.text+0x71c): undefined reference to `linend_'
drum.f:(.text+0x773): undefined reference to `lbit1_'
drum.f:(.text+0x7c9): undefined reference to `lbit1_'
drum.f:(.text+0x7fa): undefined reference to `lbit1_'
drum.f:(.text+0x816): undefined reference to `lbit1_'
drum.f:(.text+0x861): undefined reference to `lindal_'
drum.f:(.text+0xa25): undefined reference to `linend_'
util.a(fileio.o): In function `fileio_':
fileio.f:(.text+0x14c): undefined reference to `lclear_'
util.a(fixnam.o): In function `fixnam_':
fixnam.f:(.text+0x29): undefined reference to `linend_'
fixnam.f:(.text+0x3f): undefined reference to `linend_'
fixnam.f:(.text+0x62): undefined reference to `linend_'
fixnam.f:(.text+0x1fd): undefined reference to `linend_'
util.a(getcmc.o): In function `getcmc_':
getcmc.f:(.text+0x82): undefined reference to `linend_'
util.a(getcrd.o):getcrd.f:(.text+0x123): more undefined references to `linend_' follow
util.a(intkmc.o): In function `intkmc_':
intkmc.f:(.text+0x46): undefined reference to `steqcc_'
intkmc.f:(.text+0x70): undefined reference to `steqcc_'
intkmc.f:(.text+0x9a): undefined reference to `steqcc_'
intkmc.f:(.text+0xc4): undefined reference to `steqcc_'
intkmc.f:(.text+0xee): undefined reference to `steqcc_'
util.a(intkmc.o):intkmc.f:(.text+0x118): more undefined references to `steqcc_' follow
util.a(lnk1e.o): In function `lnk1e_':
lnk1e.f:(.text+0x124): undefined reference to `linend_'
lnk1e.f:(.text+0x1b3): undefined reference to `linend_'
util.a(nextfn.o): In function `nextfn_':
nextfn.f:(.text+0x28): undefined reference to `linend_'
util.a(nproc.o): In function `nproc_':
nproc.f:(.text+0x70): undefined reference to `lbit1_'
nproc.f:(.text+0x147): undefined reference to `lbit1_'
nproc.f:(.text+0x263): undefined reference to `linint_'
nproc.f:(.text+0x336): undefined reference to `linint_'
util.a(prsarg.o): In function `prsarg_':
prsarg.f:(.text+0x2d7): undefined reference to `steqcc_'
prsarg.f:(.text+0x335): undefined reference to `steqcc_'
prsarg.f:(.text+0x393): undefined reference to `steqcc_'
prsarg.f:(.text+0x3f1): undefined reference to `steqcc_'
prsarg.f:(.text+0x44f): undefined reference to `steqcc_'
util.a(prsarg.o):prsarg.f:(.text+0x4d1): more undefined references to `steqcc_' follow
util.a(rdcard.o): In function `rdcard_':
rdcard.f:(.text+0x6f): undefined reference to `linend_'
util.a(rmquot.o): In function `rmquot_':
rmquot.f:(.text+0x1a1): undefined reference to `linend_'
util.a(setenv.o): In function `setenv_':
setenv.f:(.text+0x24): undefined reference to `linend_'
setenv.f:(.text+0x35): undefined reference to `linend_'
util.a(setfil.o): In function `setfil_':
setfil.f:(.text+0x74): undefined reference to `linend_'
util.a(setfil.o):setfil.f:(.text+0x8e): more undefined references to `linend_' follow
util.a(tstamp.o): In function `tstamp_':
tstamp.f:(.text+0x9e): undefined reference to `lbit1_'
tstamp.f:(.text+0xb8): undefined reference to `linend_'
util.a(tstfil.o): In function `tstfil_':
tstfil.f:(.text+0xad): undefined reference to `linend_'
tstfil.f:(.text+0x15f): undefined reference to `linend_'
tstfil.f:(.text+0x2a1): undefined reference to `linend_'
tstfil.f:(.text+0x2be): undefined reference to `linend_'
util.a(tstfil.o):tstfil.f:(.text+0x4d1): more undefined references to `linend_' follow
util.a(dotstm.o): In function `dotstm_':
dotstm.f:(.text+0x21): undefined reference to `lbit1_'
dotstm.f:(.text+0x5a): undefined reference to `lbit1_'
util.a(getatf.o): In function `getatf_':
getatf.f:(.text+0x23): undefined reference to `linend_'
getatf.f:(.text+0x15a): undefined reference to `linend_'
getatf.f:(.text+0x18b): undefined reference to `linend_'
util.a(geteni.o): In function `geteni_':
geteni.f:(.text+0x33): undefined reference to `linend_'
geteni.f:(.text+0x11e): undefined reference to `linend_'
util.a(gfname.o): In function `gfname_':
gfname.f:(.text+0x24): undefined reference to `steqcc_'
gfname.f:(.text+0x67): undefined reference to `steqcc_'
gfname.f:(.text+0xaa): undefined reference to `steqcc_'
gfname.f:(.text+0xed): undefined reference to `steqcc_'
gfname.f:(.text+0x130): undefined reference to `steqcc_'
util.a(gfname.o):gfname.f:(.text+0x173): more undefined references to `steqcc_' follow
util.a(gsetmp.o): In function `gsetmp_':
gsetmp.f:(.text+0x2d): undefined reference to `linend_'
util.a(igtiop.o): In function `igtiop_':
igtiop.f:(.text+0x80): undefined reference to `linend_'
util.a(ntrini.o): In function `ntrini_':
ntrini.f:(.text+0x24): undefined reference to `lclear_'
ntrini.f:(.text+0x35): undefined reference to `lclear_'
ntrini.f:(.text+0xd3): undefined reference to `lclear_'
util.a(pcck.o): In function `pcck_':
pcck.f:(.text+0x314): undefined reference to `linear_'
util.a(putfsz.o): In function `putfsz_':
putfsz.f:(.text+0xd3): undefined reference to `linend_'
make: *** [g09] Error 1
bsd/g09.make:356: recipe for target 'g09' failed

#####################################################################################

为什么重视出这种莫名其妙的错误?
该怎么办???


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25#
 楼主 Author| 发表于 Post on 2016-1-28 00:53:37 | 只看该作者 Only view this author
北纬18° 发表于 2016-1-27 23:41
/data/share/intel/Compiler/11.1/073/mkl/lib/em64t
/opt/intel/composer_xe_2015.6.233/mkl/lib/intel ...

good

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