 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 2404 | 回復: 6 | |||
| 當前只顯示滿足指定條件的回帖，點擊這里查看本話題的所有回帖 | |||
lvchaojia版主
|
[交流]
QE安裝出錯，求助大神 已有3人參與
|
||
|
以前在自己電腦上安裝過，很容易就安裝上，，這次在所里的機群安裝，就出了問題。機群使用的是red hat系統(tǒng)。 ./configure 如下，應該是成功了： [liulei@mgmt espresso-5.1]$ ./configure checking build system type... x86_64-unknown-linux-gnu detected architecture... x86_64 checking for ifort... ifort configure: WARNING: using cross tools not prefixed with host triplet checking whether the Fortran compiler works... yes checking for Fortran compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... yes checking for suffix of object files... o checking whether we are using the GNU Fortran compiler... no checking whether ifort accepts -g... yes checking for Fortran flag to compile .f90 files... none checking for mpif90... mpif90 checking whether we are using the GNU Fortran compiler... yes checking whether mpif90 accepts -g... yes checking version of mpif90... gfortran 4.4.6 configure: WARNING: parallel compiler mpif90 uses gfortran, but serial compiler ifort was detected configure: WARNING: assuming F90=gfortran, discarding ifort setting F90... gfortran setting MPIF90... mpif90 checking for cc... cc checking whether we are using the GNU C compiler... yes checking whether cc accepts -g... yes checking for cc option to accept ISO C89... none needed setting CC... cc checking how to run the C preprocessor... cc -E checking for grep that handles long lines and -e... /bin/grep checking for egrep... /bin/grep -E checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking size of int *... 8 checking malloc.h usability... yes checking malloc.h presence... yes checking for malloc.h... yes checking for struct mallinfo.arena... yes checking for gfortran... gfortran checking whether we are using the GNU Fortran 77 compiler... yes checking whether gfortran accepts -g... yes setting F77... gfortran using F90... gfortran setting FFLAGS... -O3 -g setting F90FLAGS... $(FFLAGS) -x f95-cpp-input setting FFLAGS_NOOPT... -O0 -g setting CFLAGS... -O3 setting CPP... cpp setting CPPFLAGS... -P -C -traditional setting LD... mpif90 setting LDFLAGS... -g -pthread setting AR... ar setting ARFLAGS... ruv checking whether make sets $(MAKE)... yes checking whether Fortran files must be preprocessed... no checking host system type... x86_64-unknown-linux-gnu checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/x86_64-redhat-linux/4.4.6 -L/usr/lib/gcc/x86_64-redhat-linux/4.4.6/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/shared/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64 -L/shared/intel/composer_xe_2011_sp1.6.233/ipp/../compiler/lib/intel64 -L/shared/intel/composer_xe_2011_sp1.6.233/ipp/lib/intel64 -L/shared/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64 -L/shared/intel/composer_xe_2011_sp1.6.233/tbb/lib/intel64//cc4.1.0_libc2.4_kernel2.6.16.21 -L/usr/lib/gcc/x86_64-redhat-linux/4.4.6/../../.. -lgfortranbegin -lgfortran -lm checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking for library containing dgemm... -lmkl_gf_lp64 checking for library containing dspev... none required setting BLAS_LIBS... -lmkl_gf_lp64 -lmkl_sequential -lmkl_core setting LAPACK_LIBS... checking for library containing dfftw_execute_dft... no in /usr/local/lib: checking for library containing dfftw_execute_dft... no in /home4/liulei/espresso-5.1.1/gcc-4.10/lib64/: checking for library containing dfftw_execute_dft... no in /shared/intel/impi/4.0.3.008/intel64/lib: checking for library containing dfftw_execute_dft... no in /home/soft/intel/Compiler/11.0/069/mkl/lib/em64t: checking for library containing dfftw_execute_dft... no in /shared/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64: checking for library containing dfftw_execute_dft... no in /shared/intel/composer_xe_2011_sp1.6.233/ipp/../compiler/lib/intel64: checking for library containing dfftw_execute_dft... no in /shared/intel/composer_xe_2011_sp1.6.233/ipp/lib/intel64: checking for library containing dfftw_execute_dft... no in /shared/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64: checking for library containing dfftw_execute_dft... no in /shared/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64: checking for library containing dfftw_execute_dft... no in /shared/intel/composer_xe_2011_sp1.6.233/tbb/lib/intel64//cc4.1.0_libc2.4_kernel2.6.16.21: checking for library containing dfftw_execute_dft... no in /usr/share/pmc/perf/view/1.2/linux-x86_64/lib: checking for library containing dfftw_execute_dft... no in /usr/share/pmc/perf/hpc/3.0/linux-x86_64/lib: checking for library containing dfftw_execute_dft... no in /opt/lsf/8.3/linux2.6-glibc2.3-x86_64/lib: checking for library containing dfftw_execute_dft... no in /usr/share/pmc/perf/1.2/linux-x86_64/lib: checking for library containing dfftw_execute_dft... no in /usr/share/pmc/perf/ego/1.2/linux-x86_64/lib: checking for library containing dfftw_execute_dft... no in /usr/share/pmc/perf/lsf/8.3/linux-x86_64/lib: checking for library containing dfftw_execute_dft... no in /usr/share/pmc/perf/hpc/3.0/linux-x86_64/lib: checking for library containing dfftw_execute_dft... no in /usr/share/pmc/perf/view/1.2/linux-x86_64/lib: checking for library containing dfftw_execute_dft... no in /usr/share/pmc/perf/view/1.2/linux-x86_64/lib: checking for library containing dfftw_execute_dft... no in /usr/share/pmc/perf/hpc/3.0/linux-x86_64/lib: checking for library containing dfftw_execute_dft... no in /opt/lsf/8.3/linux2.6-glibc2.3-x86_64/lib: checking for library containing dfftw_execute_dft... no in /1.2/linux2.6-glibc2.3-x86_64/lib: checking for library containing dfftw_execute_dft... no in /opt/lsf/8.3/linux2.6-glibc2.3-x86_64/lib: checking for library containing dfftw_execute_dft... no in /depot/shared/intel/composer_xe_2011_sp1.6.233/debugger/lib/intel64: checking for library containing dfftw_execute_dft... no in /shared/intel/composer_xe_2011_sp1.6.233/mpirt/lib/intel64: checking for library containing dfftw_execute_dft... no in /usr/local/lib: checking for library containing dfftw_execute_dft... no in /home/soft/hdf5/lib: checking for library containing dfftw_execute_dft... no setting FFT_LIBS... setting MASS_LIBS... checking for library containing mpi_init... none required setting MPI_LIBS... checking for library containing mpi_init... (cached) none required checking for library containing pdgemr2d... no checking for library containing pdgemr2d... -lmkl_scalapack_lp64 setting SCALAPACK_LIBS... -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 setting DFLAGS... -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI -D__PARA -D__SCALAPACK setting IFLAGS... -I../include setting FDFLAGS... $(DFLAGS) checking for ranlib... ranlib setting RANLIB... ranlib checking for wget... wget -O setting WGET... wget -O configure: creating ./config.status config.status: creating include/fft_defs.h config.status: creating make.sys config.status: creating configure.msg config.status: creating install/make_wannier90.sys config.status: creating install/make_blas.inc config.status: creating install/make_lapack.inc config.status: creating include/c_defs.h config.status: include/c_defs.h is unchanged -------------------------------------------------------------------- ESPRESSO can take advantage of several optimized numerical libraries (essl, fftw, mkl...). This configure script attempts to find them, but may fail if they have been installed in non-standard locations. If a required library is not found, the local copy will be compiled. The following libraries have been found: BLAS_LIBS= -lmkl_gf_lp64 -lmkl_sequential -lmkl_core LAPACK_LIBS= SCALAPACK_LIBS=-lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 FFT_LIBS= Please check if this is what you expect. If any libraries are missing, you may specify a list of directories to search and retry, as follows: ./configure LIBDIRS="list of directories, separated by spaces" Parallel environment detected successfully.\ Configured for compilation of parallel executables. For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex). -------------------------------------------------------------------- configure: success 接下來是make all，出錯了，見附件 make sys見附件 |
回復此樓» 本帖附件資源列表
-
歡迎監(jiān)督和反饋：小木蟲僅提供交流平臺，不對該內(nèi)容負責。
本內(nèi)容由用戶自主發(fā)布，如果其內(nèi)容涉及到知識產(chǎn)權(quán)問題，其責任在于用戶本人，如對版權(quán)有異議，請聯(lián)系郵箱：xiaomuchong@tal.com - 附件 1 : make_all.txt
2015-01-18 10:46:02, 50.3 K
» 猜你喜歡
一志愿同濟大學323分（080500）求調(diào)劑
已經(jīng)有3人回復
-
330分求調(diào)劑
已經(jīng)有7人回復
-
336求調(diào)劑
已經(jīng)有3人回復
-
285求調(diào)劑
已經(jīng)有5人回復
-
調(diào)劑推薦
已經(jīng)有9人回復
-
材料調(diào)劑
已經(jīng)有6人回復
-
材料專碩322分
已經(jīng)有3人回復
-
321求調(diào)劑
已經(jīng)有5人回復
-
301求調(diào)劑
已經(jīng)有6人回復
-
085600，321分求調(diào)劑
已經(jīng)有13人回復
» 本主題相關(guān)價值貼推薦，對您同樣有幫助:
- berkeleygw 輸入文件問題
已經(jīng)有14人回復
- 安裝完QE，進行測試時，失敗了！
已經(jīng)有17人回復
- 求助quantum-espresso使用問題！
已經(jīng)有5人回復
- 新手求助一個quantum-espresso的使用問題！
已經(jīng)有13人回復
- phonopy計算聲子譜時的q點路徑問題求助
已經(jīng)有7人回復
- 求助：計算磁性多層膜的軟件，vasp？comsol？
已經(jīng)有25人回復
- VASP+PHON算聲子譜
已經(jīng)有9人回復
- 求助phonopy的安裝
已經(jīng)有3人回復
- 幫忙用XCrySDen出個圖吧.
已經(jīng)有4人回復
- 編譯出現(xiàn)錯誤，請各位大神指教
已經(jīng)有8人回復
- 用VASP做出了一種材料的聲子譜，想計算出它的熱導率這個要如何從中提取信息呢？
已經(jīng)有12人回復
- 用siesta畫聲子譜的問題
已經(jīng)有12人回復
- PWscf計算homo lumo或者valence conduction band，問題已解決
已經(jīng)有14人回復
- 【求助】請問如何在origin中做出三維曲線圖
已經(jīng)有9人回復
lvchaojia
版主
- 應助: 2 (幼兒園)
- 金幣: 614.3
- 紅花: 4
- 帖子: 189
- 在線: 45.2小時
- 蟲號: 2768866
- 注冊: 2013-10-31
- 性別: GG
- 專業(yè): 地球內(nèi)部物理學
5樓2015-01-19 15:18:58
liqizuiyang
版主
- 應助: 59 (初中生)
- 金幣: 6859.5
- 散金: 261
- 紅花: 94
- 帖子: 2093
- 在線: 708.9小時
- 蟲號: 2366686
- 注冊: 2013-03-21
- 性別: GG
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
2樓2015-01-18 15:06:22
lvchaojia
專家顧問
- 應助: 2 (幼兒園)
- 金幣: 614.3
- 紅花: 4
- 帖子: 189
- 在線: 45.2小時
- 蟲號: 2768866
- 注冊: 2013-10-31
- 性別: GG
- 專業(yè): 地球內(nèi)部物理學
3樓2015-01-18 17:26:46
liqizuiyang
專家顧問
- 應助: 59 (初中生)
- 金幣: 6859.5
- 散金: 261
- 紅花: 94
- 帖子: 2093
- 在線: 708.9小時
- 蟲號: 2366686
- 注冊: 2013-03-21
- 性別: GG
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
4樓2015-01-18 17:39:14
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 310分求調(diào)劑 +3 | 成功上岸wang 2026-04-01 | 3/150 |
|
|---|---|---|---|---|
|
|
[考研] 材料調(diào)劑 +10 | Eujd1 2026-03-31 | 11/550 |
|
|
[考研] 318求調(diào)劑 +8 | 七憶77 2026-04-01 | 8/400 |
|
|
|
[考研] 土木304求調(diào)劑 +5 | 兔突突突， 2026-03-31 | 6/300 |
|
|
|
[考研] 318一志愿吉林大學生物與醫(yī)藥 求調(diào)劑 +6 | 篤行致遠. 2026-03-28 | 6/300 |
|
|
|
[考研] 一志愿中國科學院大學265求調(diào)劑 +7 | 恬淡ye 2026-03-31 | 8/400 |
|
|
|
[教師之家] 張雪峰戛然而止的飛馳人生 +3 | yexuqing 2026-03-26 | 4/200 |
|
|
|
[考研] 08工科275分求調(diào)劑 +8 | AaAa7420 2026-03-31 | 8/400 |
|
|
|
[考研] 085600 一志愿9 總分351 求調(diào)劑學校 +7 | czhcz 2026-03-31 | 7/350 |
|
|
|
[考研] 085601英二數(shù)二求調(diào)劑 總分325 +4 | 余航航 2026-03-31 | 4/200 |
|
|
|
[考研] 080500-315分復試調(diào)劑 +9 | 上岸3821 2026-03-31 | 9/450 |
|
|
|
[考研] 347求調(diào)劑 +11 | 山頂見α 2026-03-25 | 11/550 |
|
|
|
[考研] 本科211安全工程，初試290分，求調(diào)劑 +3 | 2719846834 2026-03-28 | 3/150 |
|
|
|
[考研] 福建理工大學材料學院先進合金團隊招收考研調(diào)劑學生 +3 | 大華金商都 2026-03-30 | 4/200 |
|
|
|
[考研] 279求調(diào)劑 +12 | j的立方 2026-03-29 | 12/600 |
|
|
|
[考研] 085602 化學工程專碩 340分求調(diào)劑 +4 | qianbai11 2026-03-29 | 4/200 |
|
|
|
[考研] 一志愿北京理工大學本科211材料工程294求調(diào)劑 +8 | mikasa的圍巾 2026-03-28 | 8/400 |
|
|
|
[考研] 321求調(diào)劑 +7 | 璞玉~~ 2026-03-25 | 8/400 |
|
|
|
[考研] 材料與化工（0856）304求B區(qū)調(diào)劑 +8 | 邱gl 2026-03-27 | 8/400 |
|
|
|
[考研] 調(diào)劑 +3 | 李嘉圖·S·路 2026-03-27 | 3/150 |
|