| 查看: 1493 | 回复: 13 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
qdc19800214木虫 (正式写手)
|
[求助]
求助pwscf安装问题
|
||
|
要学习pwscf，可是远程安装不上，求助。 我的版本是espresso-4.2.1 步骤如下：unset FC F77 F90 CC CXX ./configure make all 可是最后一步出错了： mpif90 -openmp -fp-model precise -I/data3/home/diamond/apps/IMSL-ifort11/imsl_11/imsl/fnl700/rdhin111e64/include -fpp -D__INTEL -D__FFTW -D__MPI -D__PARA -I../include -I../iotk/src -I../Modules -I../EE -I. -c realus.f90 mpif90 -openmp -fp-model precise -I/data3/home/diamond/apps/IMSL-ifort11/imsl_11/imsl/fnl700/rdhin111e64/include -fpp -D__INTEL -D__FFTW -D__MPI -D__PARA -I../include -I../iotk/src -I../Modules -I../EE -I. -c newd.f90 newd.f90(113): error #6404: This name does not have a type, and must have an explicit type. [MYTID] !$omp parallel default(shared), private(na,qgm_na,is,dtmp,ig,mytid,ntids) -------------------------------------------------------------^ newd.f90(113): error #7656: Subobjects are not allowed in this OpenMP clause; a named variable must be specified. [MYTID] !$omp parallel default(shared), private(na,qgm_na,is,dtmp,ig,mytid,ntids) -------------------------------------------------------------^ newd.f90(113): error #6404: This name does not have a type, and must have an explicit type. [NTIDS] !$omp parallel default(shared), private(na,qgm_na,is,dtmp,ig,mytid,ntids) -------------------------------------------------------------------^ newd.f90(113): error #7656: Subobjects are not allowed in this OpenMP clause; a named variable must be specified. [NTIDS] !$omp parallel default(shared), private(na,qgm_na,is,dtmp,ig,mytid,ntids) -------------------------------------------------------------------^ compilation aborted for newd.f90 (code 1) make[1]: *** [newd.o] Error 1 make[1]: Leaving directory `/lustre/data/diamond/qiuvasp/espresso-4.2.1/PW' make: *** [pw] Error 2 求帮助解答。谢谢！ |
回复此楼
qdc19800214
木虫 (正式写手)
- 应助: 0 (幼儿园)
- 金币: 5626.3
- 散金: 1019
- 红花: 3
- 帖子: 743
- 在线: 150.8小时
- 虫号: 1345255
- 注册: 2011-07-14
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
|
我用make pw了，还是出错： mpif90 -openmp -fp-model precise -I/data3/home/diamond/apps/IMSL-ifort11/imsl_11/imsl/fnl700/rdhin111e64/include -fpp -D__INTEL -D__FFTW -D__MPI -D__PARA -D__SCALAPACK -I../../iotk/src -I../../Modules -I../../FFTXlib -c efermit.f90 mpif90 -openmp -fp-model precise -I/data3/home/diamond/apps/IMSL-ifort11/imsl_11/imsl/fnl700/rdhin111e64/include -fpp -D__INTEL -D__FFTW -D__MPI -D__PARA -D__SCALAPACK -I../../iotk/src -I../../Modules -I../../FFTXlib -c esm_cft.f90 esm_cft.f90(133): error #6404: This name does not have a type, and must have an explicit type. [OMP_GET_MAX_THREADS] nth = OMP_GET_MAX_THREADS() --------^ compilation aborted for esm_cft.f90 (code 1) make[2]: *** [esm_cft.o] Error 1 make[2]: Leaving directory `/lustre/data/diamond/qiuvasp/espresso-5.3.0/PW/src' make[1]: *** [pw] Error 1 make[1]: Leaving directory `/lustre/data/diamond/qiuvasp/espresso-5.3.0/PW' make: *** [pw] Error 1 [diamond@login4 espresso-5.3.0]$ |
5楼2016-01-15 09:32:33
qdc19800214
木虫 (正式写手)
- 应助: 0 (幼儿园)
- 金币: 5626.3
- 散金: 1019
- 红花: 3
- 帖子: 743
- 在线: 150.8小时
- 虫号: 1345255
- 注册: 2011-07-14
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
2楼2016-01-14 08:42:40
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
qdc19800214: 金币+10, ★★★很有帮助 2016-01-15 09:29:59
liliangfang: 金币+1, 谢谢交流 2016-01-30 17:52:22
感谢参与，应助指数 +1
qdc19800214: 金币+10, ★★★很有帮助 2016-01-15 09:29:59
liliangfang: 金币+1, 谢谢交流 2016-01-30 17:52:22
|
Ubuntu的版本可以用apt-get install 装，版本貌似是5.0.2；如果你只用pw和pp模块的话，可以make PW，makePP,make all真是各路问题。 发自小木虫Android客户端 |
3楼2016-01-15 00:18:45
qdc19800214
木虫 (正式写手)
- 应助: 0 (幼儿园)
- 金币: 5626.3
- 散金: 1019
- 红花: 3
- 帖子: 743
- 在线: 150.8小时
- 虫号: 1345255
- 注册: 2011-07-14
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
4楼2016-01-15 09:30:57
10