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分类 共搜索到 75 个相关话题(最多显示前5000个) 作者 最后发表
第一性原理 请教 vasp 5.3 安装问题
NGZhalfchargedensityreducedinZdirection#wNGZhalfgammapointonlyreducedinZdirection#scaLAPACKusescaLAPACK(usuallysloweron100MbitNet)#avoidallocavoidALLOCATEifpossible#PGF90...
 hongxiaobug 2017-04-13 08:57
第一性原理 求大神，vasp编译安装，我这个makefile文件哪里不对
NGZhalfchargedensityreducedinZdirection#wNGZhalfgammapointonlyreducedinZdirection#scaLAPACKusescaLAPACK(recommendedifmklisavailable)#avoidallocavoidALLOCATEifpossible#PGF90...
 何处飘零 2016-12-09 06:37
文献求助 Determination of 8-epi PGF(2alpha)concentrations as a ...
[info1]BastaniNEinfo'.1.'][info2]Determinationof8-epiPGF(2alpha)concentrationsasabiomarkerof...23(18):2885-90.info'.5.'][info6]doi:10.1002/rcm.4197.info'.6.']
 青雅 2016-07-19 01:26
硕博家园 vasp5.3.3编译求助
`poscar_mp_rd_poscar_head_':poscar.f90.text+0x72a):undefinedreferenceto`nitems_'poscar.f90.text+0xbf5):undefinedreferenceto`nitems_'poscar.f90.text+0xe79):...
 proodmore 2015-09-07 01:48
硕博家园 vasp5.3.3编译求助
possible#PGF90workaroundsomeforsomePGF90/IFCbugs#CACHE_SIZE1000forPII,PIII,5000forAthlon,8000-12000P4,PD#RPROMU_DGEMVuseDGEMVinsteadofDGEMMinRPRO(dependson...
 proodmore 2015-09-05 06:56
第一性原理 vasp，自旋打开的计算进入不了电子步
NGZhalfchargedensityreducedinZdirection#wNGZhalfgammapointonlyreducedinZdirection#scaLAPACKusescaLAPACK(recommendedifmklisavailable)#avoidallocavoidALLOCATEifpossible#PGF90...
 ljzhou86 2015-09-03 01:56
第一性原理 编绎VASP5.2.12出现问题，求教
（教程是装的4.6）LZ系统是64位先是装了PGI，数学库用的是atlas3.6.0的，按着教程走都没问题，但到了最后一步在VASP.5.2中，开始make时，开始报错pgf90-Mfree-Mx,119,0x200000-O2-tpp6-...
 suspend2014 2015-06-12 03:06
第一性原理 vasp5.2.12安装出现错误
scala.o:Infunction`scala_mp_ppotrf_trtri_':scala.f90.text+0x179):undefinedreferenceto`blacs_gridinfo_'scala.f90.text+0x198):undefinedreferenceto`numroc_'scala.f90.text+0x1be):...
 liuasia 2015-05-28 08:28
程序语言 make一个程序时出现了下面的问题怎么解决
pgf90-fast-tpp6-Mlist-Msave-byteswapio-O-I/pkg/netcdf/4.1.3/default/include-cprecision_mod.f90real_mod.f90pgf90-Error-Switch-tpwithunknownkeywordp6-tp=px|k8|k8-64e|barcelona|...
 hh1294628054 2015-05-13 10:15
第一性原理 vasp 5.2 makefile 编译出错，求帮助
NGZhalfchargedensityreducedinZdirection#wNGZhalfgammapointonlyreducedinZdirection#scaLAPACKusescaLAPACK(usuallysloweron100MbitNet)#avoidallocavoidALLOCATEifpossible#PGF90...
 maliangcai 2015-04-03 03:44
第一性原理 vasp编译问题
possibleoptionsforCPP:#NGXhalfchargedensityreducedinXdirection#wNGXhalfgammapointonlyreducedinXdirection#avoidallocavoidALLOCATEifpossible#PGF90workaroundsomeforsomePGF90/...
 计算化学新人 2015-03-19 07:55
第一性原理 vasp5.2并行编译成串行，请问怎么回事？
possibleoptionsforCPP:#NGXhalfchargedensityreducedinXdirection#wNGXhalfgammapointonlyreducedinXdirection#avoidallocavoidALLOCATEifpossible#PGF90workaroundsomeforsomePGF90/...
 calos818 2015-03-19 03:12
第一性原理 VASP 5.3 编译求助-急急急
NGZhalfchargedensityreducedinZdirection#wNGZhalfgammapointonlyreducedinZdirection#scaLAPACKusescaLAPACK(usuallysloweron100MbitNet)#avoidallocavoidALLOCATEifpossible#PGF90...
 hugoxia 2015-03-05 03:27
第一性原理 某超算中心vasp编译问题
possibleoptionsforCPP:#NGXhalfchargedensityreducedinXdirection#wNGXhalfgammapointonlyreducedinXdirection#avoidallocavoidALLOCATEifpossible#PGF90workaroundsomeforsomePGF90/...
 板桥霜 2015-03-03 12:31
第一性原理 vasp编译出错
possibleoptionsforCPP:#NGXhalfchargedensityreducedinXdirection#wNGXhalfgammapointonlyreducedinXdirection#avoidallocavoidALLOCATEifpossible#PGF90workaroundsomeforsomePGF90/...
 sin81 2015-02-26 02:02
程序语言 在Fortran程序中，自定义打印数据列数的三种方法
这里利用了Fortran90引入的一个wreite选项advance='no'，表示打印之后不换行。注意此选项对Fortran77编译器（例如pgf77，g77）无效。每次只打印一个数组的元素，当数据编号能被列数整除时，...
 beefly 2015-01-31 08:34
硕博家园 wrf编译compile出错
报错如下：pgf90-oideal.exe-O3-w-Mfree-byteswapioideal_em.o./dyn_em/module_initialize_b_wave.olibwrflib.a/gpfs2/home/dwang/WRF3/WRFV3/external/fftpack/fftpack5/libfftpack.a/gpfs...
 Muchong01201 2014-12-01 01:00
第一性原理 并行编译vasp5.2出现的问题
Wefoundthatmpich.1.2.1andlam-6.5.Xtolam-7.0.4arestable#mpich.1.2.1wasconfiguredwith#./configure-prefix=usr/local/mpich_nodvdbg-fc="pgf77-Mx,119,0x200000"\#-f90="pgf90"\#-...
 huanxiaobai 2014-11-06 11:30
第一性原理 VASP编译出错
NGZhalfchargedensityreducedinZdirection#wNGZhalfgammapointonlyreducedinZdirection#scaLAPACKusescaLAPACK(usuallysloweron100MbitNet)#avoidallocavoidALLOCATEifpossible#PGF90...
 carror 2014-10-01 03:24
地学 PGI 安装时遇到pgf90-Error-please run makelocalrc to complete...
各位，作为一个菜鸟，深感装wrf的艰辛!...我用的是Ubuntu14，装的是PGI10.2（也试过PGI10.6），补丁打过了，license也覆盖过了，bashrc也修改过了，但是运行$pgf90，再次出错，pgf90-Error-...
 唐去过 2014-09-30 06:05
第一性原理 求助处理 vasp OPTIC文件的OPTIC.F程序有谁编译过，如何编译啊
看要求是用pgf90编译，然后vasp也用pgf90编译，只用到vasp.lib中的库？可我编译不成功，连makefile都说没有，有点奇怪。摸不着头脑。谁有编译过，指点迷津啊，万分感谢！'...
 aylixmut 2014-07-30 02:18
第一性原理 vasp5.2 make出去
NGZhalfchargedensityreducedinZdirection#wNGZhalfgammapointonlyreducedinZdirection#scaLAPACKusescaLAPACK(usuallysloweron100MbitNet)#avoidallocavoidALLOCATEifpossible#PGF90...
 小地雷2014 2014-06-05 08:41
第一性原理 vasp5.3.3并行编译出错
NGZhalfchargedensityreducedinZdirection#wNGZhalfgammapointonlyreducedinZdirection#scaLAPACKusescaLAPACK(recommendedifmklisavailable)#avoidallocavoidALLOCATEifpossible#PGF90...
 wmy8802217 2014-05-06 11:37
第一性原理 vasp 5.3并行编译出错
NGZhalfchargedensityreducedinZdirection#wNGZhalfgammapointonlyreducedinZdirection#scaLAPACKusescaLAPACK(recommendedifmklisavailable)#avoidallocavoidALLOCATEifpossible#PGF90...
 哥是传说 2014-03-17 10:03
第一性原理 vasp5.3安装问题求助
pgf90-Mfree-Mx,119,0x200000-O2-tpp6-cbase.fpgf90-Error-Switch-tpwithunknownkeywordp6-tp=px|k8|k8-64e|barcelona|shanghai|istanbul|bulldozer|piledriver|p7|core2|penryn|nehalem|...
 yjh9160 2014-01-17 12:43
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