Dear PWSCF users I have compiled QE4.0cvs2 on SGI Altix with 128 Itanium2 CPU running Linux. MPI is used. Job need to be submitted to the cluster via LSF, and the cluster also provides 8 CPU for testing jobs without LSF.
I can run the examples coming with the package when I use the -in tag to read input files during LSF submission. However, I can not use the method to run the GIPAW example. The error message I get is like this when I tried to calculate NMR with gipaw.x: from LSF: > MPI: --------stack traceback------- > line: 2 Unable to parse input as legal command or C expression. > The "backtrace" command has failed because there is no running program. > MPI: Intel(R) Debugger for applications running on IA-64, Version > 10.1-32 , Build 20070829 > > MPI: -----stack traceback ends----- > MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize() > MPI: aborting job from gipaw: > from gipaw_readin : error # 1 > reading inputgipaw namelist So, the gipaw.x does not read the input file. To make sure I have the correct input file, I run the job locally without LSF and I successfully got the NMR result. Is there something I need to specify when I make gipaw.x, so that it can read the input file with -in tag? Or this is a problem purely related to LSF? Thanks in advance! Charles Chen
