| 查看: 3127 | 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
论文终于录用啦！满足毕业条件了
已经有17人回复
-
不自信的我
已经有5人回复
-
磺酰氟产物，毕不了业了！
已经有4人回复
-
投稿Elsevier的杂志（返修），总是在选择OA和subscription界面被踢皮球
已经有8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:
-
16年了，来看看大家
+1/199
-
限广州，征女友
+2/94
-
科瑞赛生物内皮细胞培养基试用装限时大放送，助力你的实验高效进阶！
+1/86
-
美国密歇根州立大学林学系杜海顺课题组招收全奖博士生及联合培养博士生
+1/76
-
中科院长春光机所 招收计算材料学博士/硕士研究生（含机器学习辅助材料设计方向）
+1/76
-
江苏科技大学能源材料化学课题组张俊豪教授招收博士研究生1-2名
+1/71
-
希望你在这里
+1/64
-
山东征女友，坐标济南
+1/63
-
香港理工大学-应用生物与化学科技学系 招收2025年博士研究生
+2/50
-
衡水学院招收食品与营养方向联合培养研究生
+1/30
-
南科大薛亚辉课题组诚聘离子输运、低维器件、原子力显微镜等方向“快响行动”博士生
+1/26
-
吉林大学材料物理本科生求问调剂信息
+1/11
-
长江学者团队招聘药学/生物信息学等方向高校教师7名(地点杭州、有事业编)+博后5名
+1/10
-
废旧塑料热解油采购
+1/4
-
深容SCI智能体四大模块：Method, Introduction, Discussion, Abstract
+1/3
-
海南大学化学院—功能分子器件团队博士后招聘
+1/3
-
国家级人才课题组招收2026年入学博士
+1/2
-
长春工业大学机电工程学院韩玲教授招收审核制2026年秋季入学博士生
+1/2
-
福州大学梁宇航副教授招收2026年申核制博士研究生/硕士研究生（理论计算方向）
+1/1
-
抗体制剂「隐形杀手」：如何用 QCM-D 实时捕捉亚可见颗粒的形成？
+1/1
5楼2011-06-21 08:34:51