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[求助]
vasp编译问题请教
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编译vasp出现如下警告信息，该如何解决啊？谢谢 fortcom: Warning: nonl.F, line 814: The statement following this DEC loop optimization directive must be an iterative do-stmt, a vector assignment, an OMP pdo-directive, or an OMP parallel-do-directive. !DIR$ IVDEP ------^ fortcom: Warning: hamil.F, line 1652: The statement following this DEC loop optimization directive must be an iterative do-stmt, a vector assignment, an OMP pdo-directive, or an OMP parallel-do-directive. !DIR$ IVDEP ------^ Space exceeded in Data Dependence Test in xi_mp_calculate_xi_ Subdivide routine into smaller ones to avoid optimization loss |
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编译vasp的时候遇到如下这几个关键字，没看明白是什么意思，请大家指教，谢谢！ 1. avoidalloc If -Davoidalloc is set in the makefile, ALLOCATE and DEALLOCATE sequencies are avoided in some performance sensitive areas. Notably under LINUX ALLOCATE and DEALLOCATE is slow, and hence avoiding it improves the performance of some routines by roughly 10%. 2. MPI_BLOCK Presently VASP breaks up immediate MPI send (MPI_isend) and MPI receive (MPI_irecv) calls using large data blocks into smaller ones. We found that large blocks cause a dramatic bandwidth reduction on LINUX clusters linked by a 100 Mbit and/or Gbit Ethernet (all Kernels, all mpi versions including 2.6.X Linux kernels, lam.7.1.1). MPI_BLOCK determines the block size. If use_collective is used, MPI_BLOCK is used only for the fast global sum routine (search for M_sumf_d in mpi.F). |
2楼2012-02-09 15:26:52