| 查看: 3685 | 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
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有3人回复
-
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有3人回复
-
浙江师范大学是怎么坑我的
已经有4人回复
-
闲聊
已经有6人回复
-
江苏省自然基金 什么时候出结果
已经有7人回复
-
浙江师范大学是怎么坑我的
已经有10人回复
-
求教各位大神：2026教育部人文社科青年基金项目何时公示呀？
已经有6人回复
-
面上有专家说实验设备不是我们单位的
已经有8人回复
-
科研求助
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:
-
项目结题验收，希望一切顺利
+1/980
-
华南理工大学 光电材料方向 王竣可教授课题组招聘博士后、博士生及科研助理
+5/485
-
急招科研助理/博士后
+2/136
-
美国肯塔基大学Dr. Sheng Tong博士后招聘（空间可控的基因组编辑与肿瘤免疫治疗）
+1/97
-
石河子大学211双一流学科分子筛等多孔材料与生物质资源化利用方向招2027级推免生
+1/39
-
坐标天津，诚征女友，希望遇到有缘之人。
+1/39
-
山东征女友，坐标济南
+1/38
-
211诚招材化相关专业硕士、博士、博后（长期有效）推免-保研-调剂-申博
+1/34
-
27博士申请自荐
+1/31
-
中国科大-合肥国家实验室冷原子量子网络团队招聘启事
+2/26
-
深圳大学应用技术学院招聘凝聚态物理博士后
+1/17
-
【牙科生物材料特刊征稿】对牙科方向友好（Scopus、DOAJ收录的正规国际期刊）
+1/14
-
中科院西北研究院招收遥感、地信相关专业联培研究生及科研助理！
+1/14
-
欢迎推免生/准推免生报名（约80名每年）--长期有效--物理/电子等所有理工专业
+1/12
-
【生物材料与生物打印专题征稿】Scopus期刊，免APC
+1/12
-
招收2027年-申请考核博士生-仿生材料/生物能源方向
+1/11
-
口腔特刊客座招募客编Biofunctional Materials牙科生物功能材料专题，Scopus期刊
+1/9
-
哈工大（深圳）招收工程热物理专业2027入学博士生
+1/5
-
广东省智能院与澳门大学、澳门科技大学、澳理工联合培养博士招生
+1/4
-
合肥工业大学许婷婷老师招收2027年入学博士研究生，有机/高分子合成背景
+1/1
3楼2011-06-13 17:11:18
2楼2011-06-12 23:45:56
4楼2011-06-18 17:35:11
5楼2011-06-21 08:34:51