| 查看: 3186 | 回复: 11 | |||
| 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 | |||
[交流]
ESPRESSO4.3.1 install problem
|
|||
|
Installation is OK. But a few errors occur during rung all example. Can someone eliminates them? .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example09 : starting This example shows how to use pw.x and phcg.x to calculate the normal modes of a molecule (SiH4) at Gamma. It shows also the use of ph.x for molecules (CH4) at Gamma. executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/pw.x running ph.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/ph.x running phcg.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/phcg.x running dynmat.x as: /usr/local/espresso-4.3.1/bin/dynmat.x cleaning /root/tmp... done running the scf calculation for SiH4... done running normal mode calculation for SiH4... done running IR cross section calculation for SiH4... done running the scf calculation for CH4... done running normal mode calculation for CH4... done running IR cross section calculation for CH4...Fatal error in PMPI_Barrier: Invalid communicator, error stack: PMPI_Barrier(910): MPI_Barrier(comm=0x0) failed PMPI_Barrier(780): Invalid communicator Error condition encountered during test: exit status = 1 Aborting .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example30 : starting This example shows how to use cp.x to perform molecular dynamics in the presence of an electric field described through the modern theory of the polarization. The example shows how to calculate high-frequency and static dielectric constants and Born effective charges. executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running cp.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/cp.x cleaning /root/tmp... done running the CG calculation for bulk MgO E_field=0. a.u. ...forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source cp.x 0000000000468B71 Unknown Unknown Unknown cp.x 000000000045C415 Unknown Unknown Unknown cp.x 0000000000592EF2 Unknown Unknown Unknown cp.x 0000000000474902 Unknown Unknown Unknown cp.x 000000000042A094 Unknown Unknown Unknown cp.x 0000000000407D50 Unknown Unknown Unknown cp.x 0000000000407C5C Unknown Unknown Unknown libc.so.6 0000003A5741EC5D Unknown Unknown Unknown cp.x 0000000000407B59 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source cp.x 0000000000468B71 Unknown Unknown Unknown cp.x 000000000045C415 Unknown Unknown Unknown cp.x 0000000000592EF2 Unknown Unknown Unknown cp.x 0000000000474902 Unknown Unknown Unknown cp.x 000000000042A094 Unknown Unknown Unknown cp.x 0000000000407D50 Unknown Unknown Unknown cp.x 0000000000407C5C Unknown Unknown Unknown libc.so.6 0000003A5741EC5D Unknown Unknown Unknown cp.x 0000000000407B59 Unknown Unknown Unknown Error condition encountered during test: exit status = 174 Aborting .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example34 : starting This example shows how to use vdw.x to calculate dynamic polarizability of methane molecule in simplified version of the one in ph.x (see example33) by using Thomas-Fermi and von Weizsaecker approximation executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/pw.x running vdw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/vdw.x cleaning /root/tmp... done running the scf calculation... done running the dynamic polarizability calculation ...application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0 Error condition encountered during test: exit status = 137 Aborting .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example35 : starting This example tests the Born effective charges and dielectric constant together with the noncollinear or the spin-orbit part of the code The collinear version for insulators with fixed total magnetization is also tested. executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/pw.x running ph.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/ph.x cleaning /root/tmp... done running pw.x for Si with gga-pbe and spin-orbit coupling... done running ph.x at Gamma for Si with gga-pbe and spin-orbit coupling... done running pw.x for C with noncolin=.true.... done running ph.x at Gamma for C with noncolin=.true.... done running pw.x at Gamma for O2 with LSDA and constrained magnetization... done running ph.x at Gamma for O2 with LSDA and constrained magnetization... done running pw.x at Gamma for O2 with noncolin=.true....application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0 application called MPI_Abort(MPI_COMM_WORLD, 0) - process 1 Error condition encountered during test: exit status = 137 Aborting .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example36 : starting This example tests pw.x with PAW in the noncollinear, spin-orbit case. It calculates the band structure of ferromagnetic bcc-Fe, and the phonon modes of relativistic Au at the gamma and X points executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/pw.x running ph.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/ph.x running bands.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/bands.x running plotband.x as: /usr/local/espresso-4.3.1/bin/plotband.x cleaning /root/tmp... done running the scf calculation for Au with PAW and spin-orbit... done running ph.x for Au at Gamma with PAW and spin-orbit... done running ph.x for Au at X with PAW and spin-orbit... done running the scf calculation for Fe with PAW spin-orbit... done running the band calculation for Fe with PAW and spin-orbit...application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0 Error condition encountered during test: exit status = 137 Aborting [ Last edited by yxcai on 2011-6-11 at 19:19 ] |
回复此楼» 猜你喜欢
为什么中国大学工科教授们水了那么多所谓的顶会顶刊，但还是做不出宇树机器人？
已经有9人回复
-
版面费该交吗
已经有9人回复
-
体制内长辈说体制内绝大部分一辈子在底层，如同你们一样大部分普通教师忙且收入低
已经有13人回复
-
面上可以超过30页吧？
已经有4人回复
-
“人文社科而论，许多学术研究还没有达到民国时期的水平”
已经有5人回复
-
什么是人一生最重要的？
已经有4人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 求询Install_QuantityOne_v452_PC 的密码？
已经有4人回复
- some prejudice on the social and environmental problem
已经有14人回复
- 请教MS4.4 Linux下安装提示 msiinstall语法错误
已经有14人回复
- Gaussian 09 Linux在 Ubuntu 10.04下装不上（运行./install没有回应）
已经有5人回复
- How puzzled I am ! What a distressed problem !
已经有12人回复
- 【求助】Ansys安装第一项Install Required Prerequisits安装错误
已经有4人回复
- 【求助】高斯计算出现Fatal Problem: The smallest alpha delta epsilon is -0.785373
已经有7人回复
- 鼠标右键会弹出windows install正在安装，百度了很多办法都不行~
已经有6人回复
- 【Share】I encounter a difficult problem!
已经有5人回复
- 【求助】ARRAY B TOO SMALL FOR THIS PROBLEM 如何解决
已经有9人回复
- 【求助】Plugins problem when running "make"
已经有4人回复
- 【求助】Problem with the distance matrix
已经有5人回复
» 抢金币啦！回帖就可以得到:
-
山东征女友，坐标济南
+1/162
-
求助哪里可以做光催化产氢的放大实验
+1/95
-
上海交通大学叶天南课题组招聘2026级博士研究生
+1/87
-
上海交通大学叶天南课题组招聘2026级博士研究生
+1/84
-
广工-董华锋教授团队招收博士生（1学博-0-1专博）
+1/80
-
博洛尼亚大学能源材料课题组2个博后位置招聘（PNRR & MSCA）
+1/79
-
澳门理工大学人工智能智慧康养方向26 年9月入学博士招生 奖学金
+1/41
-
澳门理工大学人工智能智慧康养方向26 年9月入学博士招生有奖学金
+1/40
-
澳门理工大学人工智能智慧康养2026 年9月入学 博士招生有奖学金
+1/37
-
大连海事大学轮机学院尚有博士名额
+2/36
-
英国南安普顿大学招博后+博士（微流控，分子动力学）
+1/20
-
中山大学院士团队微纳光电器件、柔性电子方向博士招生、博后招聘
+2/11
-
新加坡南洋理工大学- 光电/ 智能传感/ 脑机接口方向 博士后
+1/9
-
太原理工大学集成电路学院招收2026年博士研究生
+1/6
-
南昌大学资源与环境学院刘进教授团队招收2026硕博研究生
+1/5
-
中国科学技术大学 工程科学学院 国家级人才团队 诚聘博士后
+1/5
-
国自然B0706药物化学生物学，需要什么样的文章才能中
+1/4
-
天津医科大学基础医学院张恒课题组博士后招聘
+1/3
-
TGF β3无法复性出二聚体怎么办
+1/2
-
澳科大招收2026秋纳米医学/生物材料方向全奖博士研究生（3月5日18:00截止）
+1/2
5楼2011-06-21 08:34:51
2楼2011-06-12 23:45:56
3楼2011-06-13 17:11:18
4楼2011-06-18 17:35:11