[Wien] fail in meta-GGA

[lilonghua]

Hi,
I'm trying meta-GGA (12) to calculate PbTe (B1). first do a regular run_lapw; then cp case.inm case.inm_vresp; x mixer_vresp, a case.vrespsum is ok; change lxoct? to 12 in case.in0 and GMAX to 24 in case.in2; finally, run_lapw. It is right? But the lapw0 failed.  It seems several people have such problems. But they failed in a regular scf. I export MALLOC_CHECK_=0 in ~/.bashrc, and lapw0 seems ok! but after mixer, it said "grep: B1.outputvrespm: No such file or directory". can some body tell me why? thanks.

*** glibc detected *** /cluster/wien2k_08/lapw0: double free or corruption (out): 0x00000000120b5bc0 ***
======= Backtrace: =========
/lib64/libc.so.6[0x368aa6f444]
/lib64/libc.so.6(cfree+0x8c)[0x368aa72a6c]
/cluster/wien2k_08/lapw0[0xda99c5]
/cluster/wien2k_08/lapw0[0xda992e]
/cluster/wien2k_08/lapw0[0x46ce9e]
/cluster/wien2k_08/lapw0[0x432d27]
/cluster/wien2k_08/lapw0[0x41140a]
/lib64/libc.so.6(__libc_start_main+0xf4)[0x368aa1d8a4]
/cluster/wien2k_08/lapw0[0x41132d]
======= Memory map: ========
00400000-00e9d000 r-xp 00000000 08:06 2310846                            /cluster/wien2k_08/lapw0
0109d000-010b3000 rwxp 00a9d000 08:06 2310846                            /cluster/wien2k_08/lapw0
010b3000-0d3c9000 rwxp 010b3000 00:00 0 
12038000-120c5000 rwxp 12038000 00:00 0 
368a600000-368a61a000 r-xp 00000000 08:06 2441089                        /lib64/ld-2.5.so
368a819000-368a81a000 r-xp 00019000 08:06 2441089                        /lib64/ld-2.5.so
368a81a000-368a81b000 rwxp 0001a000 08:06 2441089                        /lib64/ld-2.5.so
368aa00000-368ab46000 r-xp 00000000 08:06 2441090                        /lib64/libc-2.5.so
368ab46000-368ad46000 ---p 00146000 08:06 2441090                        /lib64/libc-2.5.so
368ad46000-368ad4a000 r-xp 00146000 08:06 2441090                        /lib64/libc-2.5.so
368ad4a000-368ad4b000 rwxp 0014a000 08:06 2441090                        /lib64/libc-2.5.so
368ad4b000-368ad50000 rwxp 368ad4b000 00:00 0 
368ae00000-368ae82000 r-xp 00000000 08:06 2441097                        /lib64/libm-2.5.so
368ae82000-368b081000 ---p 00082000 08:06 2441097                        /lib64/libm-2.5.so
368b081000-368b082000 r-xp 00081000 08:06 2441097                        /lib64/libm-2.5.so
368b082000-368b083000 rwxp 00082000 08:06 2441097                        /lib64/libm-2.5.so
368b200000-368b202000 r-xp 00000000 08:06 2441091                        /lib64/libdl-2.5.so
368b202000-368b402000 ---p 00002000 08:06 2441091                        /lib64/libdl-2.5.so
368b402000-368b403000 r-xp 00002000 08:06 2441091                        /lib64/libdl-2.5.so
368b403000-368b404000 rwxp 00003000 08:06 2441091                        /lib64/libdl-2.5.so
368b600000-368b615000 r-xp 00000000 08:06 2441092                        /lib64/libpthread-2.5.so
368b615000-368b814000 ---p 00015000 08:06 2441092                        /lib64/libpthread-2.5.so
368b814000-368b815000 r-xp 00014000 08:06 2441092                        /lib64/libpthread-2.5.so
368b815000-368b816000 rwxp 00015000 08:06 2441092                        /lib64/libpthread-2.5.so
368b816000-368b81a000 rwxp 368b816000 00:00 0 
369ac00000-369ac0d000 r-xp 00000000 08:06 2441099                        /lib64/libgcc_s-4.1.2-20070626.so.1
369ac0d000-369ae0d000 ---p 0000d000 08:06 2441099                        /lib64/libgcc_s-4.1.2-20070626.so.1
369ae0d000-369ae0e000 rwxp 0000d000 08:06 2441099                        /lib64/libgcc_s-4.1.2-20070626.so.1
2aaaaaaab000-2aaaaaaac000 rwxp 2aaaaaaab000 00:00 0 
2aaaaaac0000-2aaaaaac1000 rwxp 2aaaaaac0000 00:00 0 
2aaaaaac1000-2aaaab11a000 r-xp 00000000 08:06 3747662                    /opt/intel/mkl/9.1.023/lib/em64t/libmkl_lapack.so
2aaaab11a000-2aaaab219000 ---p 00659000 08:06 3747662                    /opt/intel/mkl/9.1.023/lib/em64t/libmkl_lapack.so
2aaaab219000-2aaaab224000 rwxp 00658000 08:06 3747662                    /opt/intel/mkl/9.1.023/lib/em64t/libmkl_lapack.so
2aaaab224000-2aaaab27d000 r-xp 00000000 08:06 3747654                    /opt/intel/mkl/9.1.023/lib/em64t/libguide.so
2aaaab27d000-2aaaab37c000 ---p 00059000 08:06 3747654                    /opt/intel/mkl/9.1.023/lib/em64t/libguide.so
2aaaab37c000-2aaaab380000 rwxp 00058000 08:06 3747654                    /opt/intel/mkl/9.1.023/lib/em64t/libguide.so
2aaaab380000-2aaaab387000 rwxp 2aaaab380000 00:00 0 
2aaaab387000-2aaaab418000 r-xp 00000000 08:06 3747669                    /opt/intel/mkl/9.1.023/lib/em64t/libvml.so
2aaaab418000-2aaaab518000 ---p 00091000 08:06 3747669                    /opt/intel/mkl/9.1.023/lib/em64t/libvml.so
2aaaab518000-2aaaab51b000 rwxp 00091000 08:06 3747669                    /opt/intel/mkl/9.1.023/lib/em64t/libvml.so
2aaaab51b000-2aaab53e4000 rwxp 2aaaab51b000 00:00 0 
2aaab8000000-2aaab8021000 rwxp 2aaab8000000 00:00 0 
2aaab8021000-2aaabc000000 ---p 2aaab8021000 00:00 0 
7fffd97b6000-7fffd97d1000 rwxp 7fffd97b6000 00:00 0                      [stack]
ffffffffff600000-ffffffffffe00000 ---p 00000000 00:00 0                  [vdso]
forrtl: error (76): IOT trap signal
 				
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lilonghua
2009-05-25