Dear Wien2k team, I have compiled wien2k using pgf90 (6.1) and acml and there is no problem with the TiC example. But when I try to calculate my realistic system, it stops with segmentation fault in lapw0. Debugging the resulted core shows the last call is sphbes. Then I compiled lapw0 again by replacing -fast with the debug option, -g, and it works! I surely don't want work with a debug version of lapw0. Does anyone have a clue on the real reason and suggest me proper compiling options?
Other information is as below: aihua at fhix:~/src/wien2k/SRC_lapw0> uname -a Linux fhix 2.6.5-7.191-smp #1 SMP Tue Jun 28 14:58:56 UTC 2005 x86_64 x86_64 x86_64 GNU/Linux aihua at fhix:~/src/wien2k/SRC_lapw0> cat /proc/cpuinfo processor : 0 vendor_id : AuthenticAMD cpu family : 15 model : 37 model name : AMD Opteron(tm) Processor 252 stepping : 1 cpu MHz : 2588.623 cache size : 1024 KB fpu : yes fpu_exception : yes cpuid level : 1 wp : yes flags : fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 syscall nx mmxext lm 3dnowext 3dnow pni lahf_lm bogomips : 5111.80 TLB size : 1088 4K pages clflush size : 64 cache_alignment : 64 address sizes : 40 bits physical, 48 bits virtual power management: ts fid vid ttp aihua at fhix:~/src/wien2k/SRC_lapw0> pgf90 -V pgf90 6.1-1 64-bit target on x86-64 Linux Copyright 1989-2000, The Portland Group, Inc. All Rights Reserved. Copyright 2000-2005, STMicroelectronics, Inc. All Rights Reserved. aihua at fhix:~/src/wien2k/SRC_lapw0> grep FOPT Makefile #FOPT = -Mfreeform -fast -Kieee FOPT = -Mfreeform -g -Kieee $(MAKE) $(S_EXEC) FORT=$(FC) FFLAGS='$(FGEN) $(FOPT)' Thank you very much! Best regards Aihua