I think I am using $SCRATCH. In my .cshrc file, I have the line, setenv SCRATCH ./
This machine is a shared memory machine, 4 CPUs in one node. Since the communication between nodes is slow, I only use one node in k-point parallel style NOT MPI parallel. The same thing happens on our IBM Linux cluster, 2 CPUs in one node. -it switch only works with the line without "$para". It is not a shared memory machine, and I use "ssh" for parallelization. Moreover, on this machine, the "-it" switch meets another problem: The first full diagonalization iteration is fine, and memory is enough for the calculation, but when it switches to "-it" in the second iteration, and copy case.vector into case.vector_old correctly, it says "insufficiently virtual memory". LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW2 - FERMI; weighs written LAPW2 END LAPW2 END LAPW2 END LAPW2 END SUMPARA END SUMPARA END CORE END MIXER END LAPW0 END forrtl: severe (41): insufficient virtual memory Image PC Routine Line Source lapw1 08548873 Unknown Unknown Unknown lapw1 08547E93 Unknown Unknown Unknown lapw1 0850C80E Unknown Unknown Unknown lapw1 084DBFB8 Unknown Unknown Unknown lapw1 084F8832 Unknown Unknown Unknown lapw1 08098779 Unknown Unknown Unknown lapw1 08091A14 Unknown Unknown Unknown lapw1 08055F8C Unknown Unknown Unknown lapw1 0807832E Unknown Unknown Unknown lapw1 0804EA59 Unknown Unknown Unknown libc.so.6 400BE210 Unknown Unknown Unknown lapw1 0804E981 Unknown Unknown Unknown forrtl: severe (41): insufficient virtual memory Image PC Routine Line Source lapw1 08548873 Unknown Unknown Unknown lapw1 08547E93 Unknown Unknown Unknown lapw1 0850C80E Unknown Unknown Unknown lapw1 084DBFB8 Unknown Unknown Unknown lapw1 084F8832 Unknown Unknown Unknown lapw1 08098779 Unknown Unknown Unknown lapw1 08091A14 Unknown Unknown Unknown lapw1 08055F8C Unknown Unknown Unknown lapw1 0807832E Unknown Unknown Unknown lapw1 0804EA59 Unknown Unknown Unknown libc.so.6 400BE210 Unknown Unknown Unknown lapw1 0804E981 Unknown Unknown Unknown forrtl: severe (41): insufficient virtual memory ..... Then I do a test, turning off the "-it" switch, and the job just run smoothly. Thank you very much Zhang Peter Blaha wrote: > Are you using $SCRATCH ? > > Is this a shared memory machine, do you use ssh or rsh for parallelization ? > > execute vec2old_lapw $para on the commandline, eventually add the -x switch > in the first line of the script. > -- --------------------------------------------------------------------- Address: Fritz-Haber-Institut, Abt. Theorie Faradayweg 4-6 D-14195 Berlin (Germany) Phone: +49 30 8413 4818 Fax: +49 30 8413 4701 Email: zhang at fhi-berlin.mpg.de --------------------------------------------------------------------- 1-0.0735-11600-23.05