Hi Susanta, It looks like you are using update 7 of composer xe:
l_fcompxe_intel64_2011.*7*.256 First, try compiling with -O1 instead of -O2. If you still get an error, it is probably another broken version 12 of the ifort compiler for Wien2k. Update 3 seems to be stable, l_fcompxe_intel64_2011.3.174 If you want to save time, try compiling with update 3 and the -O1. Gavin On 11/10/2011 6:05 AM, susanta mohanta wrote: > Dear Prof. Blaha and wien2k users, > > I have successfully compiled wien2k 11.1 (current) version with Fedora > 15 in intel i7 (6 cores, 12 processors) machine. > While running a test case in lapw1 its showing core dumped and > lapw1.def failed. My compiler options are as below > > current:FOPT:-FR -w -mp1 -prec_div -pad -ip -O2 -DINTEL_VML -traceback > > current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback > > current:LDFLAGS:$(FOPT) -L/opt/intel/composer_xe_2011_sp1/lib/intel64 > -lsvml -openmp -lpthread > > current:DPARALLEL:'-DParallel' > > current:R_LIBS:-L/opt/intel/composer_xe_2011_sp1/mkl/lib/intel64 > -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread > > > error: command /home/surendra/wien2k/lapw1 uplapw1.def failed > 56.313u 1.337s 0:16.06 358.9% 0+0k 0+2296io 0pf+0w > > lapw1 -up (17:20:45) Abort (core dumped) > > lapw0 (17:20:13) 31.238u 0.175s 0:31.57 99.4% 0+0k 0+7400io 0pf+0w > > cycle 1 (Thu Nov 10 17:20:13 IST 2011) (400/99 to go) > > start (Thu Nov 10 17:20:13 IST 2011) with lapw0 (400/99 to go) > > > using WIEN2k_11.1 (Release 14/6/2011) in /home/surendra/wien2k > on mishra with PID 4120 > Calculating Sm_Cr in /root/wien_simuls/Sm_Cr > > > > I am using the current ifort i.e. composer_xe_2011_sp1 > (l_fcompxe_intel64_2011.7.256). > can anyone suggest what can be the problem ? > > thanking in advance > with regards > susanta > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111110/0748aa39/attachment-0001.htm>
