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.deffailed. 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111110/2fceb54b/attachment.htm>