| 查看: 2681 | 回复: 27 | |||
| 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]
【求助】vasp安装问题 已有5人参与
|
|||
|
大家好！我在编译vasp时出现如下偶的错误，系统是Ubuntu10.04，IFC，mkl，都是Intel编译套装，openmpi 串行时： /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_barrier' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_critical' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_ok_to_fork' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_end_critical' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_dispatch_init_8' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_global_thread_num' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_serialized_parallel' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_end_ordered' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_fork_call' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_dispatch_next_8' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_for_static_fini' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `omp_get_num_procs' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `omp_get_max_threads' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_ordered' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `omp_get_thread_num' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_for_static_init_4' /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.so: undefined reference to `__kmpc_for_static_init_8' make: *** [vasp] Error 1 并行的时候也出错： b -ldmy ../vasp.5.lib/linpack_double.o ../vasp.4.lib/lapack_double.o -lmkl_lapack -Wl,--start-group /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel.a /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel_thread.a /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_core.a -Wl,--end-group -lguide -lpthread g77: fftmpi.o: No such file or directory g77: fftmpi_map.o: No such file or directory g77: ../vasp.4.lib/lapack_double.o: No such file or directory g77: /opt/intel/mkl/10.0.4.023/lib/em64t/libmkl_intel.a: No such file or directory mpif77: No such file or directory make: *** [vasp] Error 1 Makefile文件下面给出。麻烦大家帮我分析…… [ Last edited by 贺仪 on 2010-8-17 at 18:21 ] |
回复此楼» 猜你喜欢
AI 太可怕了，写基金时，提出想法，直接生成的文字比自己想得深远，还有科学性
已经有9人回复
-
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有11人回复
-
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有10人回复
-
同年申请2项不同项目，第1个项目里不写第2个项目的信息，可以吗
已经有9人回复
-
表哥与省会女结婚，父母去帮带孩子被省会女气回家生重病了
已经有7人回复
-
天津大学招2026.09的博士生，欢迎大家推荐交流（博导是本人）
已经有9人回复
-
有院领导为了换新车，用横向课题经费买了俩车
已经有10人回复
22楼2010-08-19 08:26:03
|
串行的Makefile，只写了关键部分： FC=ifort # fortran linker FCL=$(FC) CPP = $(CPP_) -DHOST=\"LinuxIFC\" \ -Dkind8 -DCACHE_SIZE=16000 -DPGF90 -Davoidalloc -DNGXhalf \ -DRPROMU_DGEMV -DRACCMU_DGEMV \ -DNOZTRMM FFLAGS = -FR -lowercase -assume byterecl BLAS=-L/opt/intel/mkl/10.0.4.023/lib/em64t -lmkl -lpthread LAPACK= ../vasp.5.lib/lapack_double.o LIB = -L../vasp.5.lib -ldmy \ ../vasp.5.lib/linpack_double.o $(LAPACK) \ $(BLAS) FFT3D = fft3dfurth.o fft3dlib.o |
2楼2010-08-17 18:15:04
|
并行部分： 前面的都注释了 FC=mpif77（服务器没有mpif90） FCL=$(FC) CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \ -Dkind8 -DCACHE_SIZE=16000 -DPGF90 -Davoidalloc -DNGZhalf \ -DMPI_BLOCK=8000 \ -DRPROMU_DGEMV -DRACCMU_DGEMV \ -DNOZTRMM -DSCALAPACK（这一段火来加的，加了没影响） LIB = -L../vasp.5.lib -ldmy \ ../vasp.5.lib/linpack_double.o \ $(LAPACK) \ $(SCA) $(BLAS) FFT3D = fftmpi.o fftmpi_map.o fft3dfurth.o fft3dlib.o |
3楼2010-08-17 18:18:26
zzy870720z
荣誉版主 (文坛精英)
- 1ST强帖: 3
- 应助: 47 (小学生)
- 贵宾: 9.05
- 金币: 30914.3
- 散金: 5613
- 红花: 68
- 沙发: 99
- 帖子: 12592
- 在线: 23567.6小时
- 虫号: 745488
- 注册: 2009-04-10
- 性别: GG
- 专业: 凝聚态物性I:结构、力学和
- 管辖: 分子模拟
4楼2010-08-17 21:45:21