[Wien] mpd invalid port info, MPI problem

2008-09-25 Thread Ludwig, Christian
Hi, I installed intel MPI on a cluster and now I am trying to run Wien on the master and one node. k-parallelisation works. For fine grain, my machines file looks something like 1:master:2 1:node:4 granularity:1 extrafine:1 lapw0 is done, of course, and in lapw1 I get the following dayfile:

[Wien] problems with ssh/csh (or so) on a cluster

2008-09-18 Thread Ludwig, Christian
, you have not completed an initialization,...) Its impossible to fix a problem from the outside, since I can never imagine what could have been gone wrong before. Ludwig, Christian schrieb: I actually did that, I figured you just forgot it :) Still, I get the lapw1.error I showed you

[Wien] problems with ssh/csh (or so) on a cluster

2008-09-17 Thread Ludwig, Christian
No new window is opened upon the ssh command. ssh node lapw1 lapw1.def results in LAPW1 - Error. The lapw1.error file reads 'INILPW' - can't open unit: 18 'INILPW' -filename: test.vsp 'INILPW' - status: old form: formatted 'LAPW1' - INILPW aborted unsuccessfully.

[Wien] problems with ssh/csh (or so) on a cluster

2008-09-16 Thread Ludwig, Christian
I am running WIEN2k_08.2 (Release 21/4/2008) on a Linux Cluster OPTIONS: current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xT -traceback current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback current:LDFLAGS:-L/opt/intel/fce/lib -static -lsvml -lguide -lpthread

[Wien] read statement cannot be completed

2008-07-21 Thread Ludwig, Christian
I looked again very closely at the output1 file and now I see it. No eigenvalues indeed. Last week I changed RKM from 7.00 to 4.00 and did successful calculations with varying number of k-points. Why would it crash with to high a RKM value? In the next couple of days I will gradually increase