The ABINIT Users Mailing List ( CLOSED )

[francois.lallet@umontreal.ca]

Dear Abinit users,

I try to relax (ionmov=2) a large system with PAW pseudopotentials and 
band-fft parallelisation (64 CPUs) with abinip. I find this message in the 
log file (I just give the begining and the end because it is very long):


 *** glibc detected *** 
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip: free(): invalid 
next size (normal): 0x60000000122b0de0 ***
*** glibc detected *** 
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip: free(): invalid 
next size (normal): 0x60000000123f2d20 ***
*** glibc detected *** 
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip: free(): invalid 
next size (normal): 0x600000001238af70 ***
*** glibc detected *** 
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip: free(): invalid 
next size (normal): 0x6000000012229d90 ***
======= Backtrace: =========
/lib/libc.so.6.1[0x2000000003f37b00]
/lib/libc.so.6.1(__libc_free+0x3ef2eb8)[0x2000000003f3b8a0]
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip[0x40000000021ac360]
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip[0x4000000001f044e0]
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip[0x4000000001b6cfa0]
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip[0x40000000010d30c0]
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip[0x4000000000094c10]
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip[0x40000000000357b0]
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip[0x400000000000fa50]
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip[0x40000000000043c0]
*** glibc detected *** 
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip: free(): invalid 
next size (normal): 0x6000000012318b90 ***
/lib/libc.so.6.1(__libc_start_main+0x3e46c38)[0x2000000003e8f630]
/RQexec/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip[0x4000000000004140]

[.......
........
........]

2000001c74f58000-2000001c75758000 rw-s 00000000 00:00 0
2000001c75758000-2000001cf03e0000 rw-s 00000000 00:00 0
2000001cf03e0000-2000001cf0be0000 rw-s 00000000 00:00 0
2000001cf0be0000-2000001d6b868000 rw-s 00000000 00:00 0
2000001d6b868000-2000001d6c068000 rw-s 00000000 00:00 0
2000001d6c068000-2000001de6cf0000 rw-s 00000000 00:00 0
2000001de6cf0000-2000001de74f0000 rw-s 00000000 00:00 0
2000001de74f0000-2000001e62178000 rw-s 00000000 00:00 0
2000001e62178000-2000001e62978000 rw-s 00000000 00:00 0
2000001e62978000-2000001edd600000 rw-s 00000000 00:00 0
2000001edd600000-2000001edde00000 rw-s 00000000 00:00 0
2000001edde00000-2000001edde04000 r--s 00000000 00:0f 104708             
/dev/mmtimer
2000001edde04000-2000001edde0c000 rw-p 2000001edde04000 00:00 0
2000001eddf00000-2000001eddf24000 rw-p 2000001eddf00000 00:00 0
2000001eddf24000-2000001ede000000 ---p 2000001eddf24000 00:00 0
4000000000000000-40000000022cc000 r-xp 00000000 fc:08 55838240856        
/RQMNT/exec3/gcote/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip
6000000000008000-6000000000150000 rw-p 022c8000 fc:08 55838240856        
/RQMNT/exec3/gcote/cotemich/Abinit/abinit-5.5.0/tmp_fft/src/main/abinip
6000000000150000-6000000059e70000 rw-p 6000000000150000 00:00 0          
[heap]
603fffffffffc000-6040000000000000 rw-p 603fffffffffc000 00:00 0
607ffffffe99c000-607ffffffea34000 rw-p 607ffffffe99c000 00:00 0          
[stack]
a000000000000000-a000000000020000 ---p 00000000 00:00 0                  
[vdso]


which is the last thing written in the log file and the first Broyden step 
never starts...
Any idea?
I also give my input file hereafter:


acell 14.2154 24.6252 28.2404 angstrom
rprim  1.0 0.0 0.0
       0.0 1.0 0.0
       0.0 0.0 1.0
vacwidth 10
ntypat 4
znucl 8 13 39 40
natom 640
typat
 3 4 4 4 3 4 4 4 4 4 4 3 9*4
 3 4 4 3 3 16*4 3 4 4 4 3 4 92*1
 3 4 4 4 3 4 4 4 4 4 4 3 9*4
 3 4 4 3 3 16*4 3 4 4 4 3 4 92*1
 216*1 144*2
xangst

[.......
........
........]

ecut 15
nband 2640
ngfft 96 192 192
ngfftdg 144 256 288
npband 8
npfft 8
pawecutdg 35
nkpt 1
kpt 0.0 0.0 0.0
istwfk 1
fftalg 401
wfoptalg 4
fft_opt_lob 2
intxc 0
iprcch 0
nloalg 4
nstep 1000
toldfe 1.0d-8
diemac 3.0
diemix 0.3
iscf 17
ionmov 2
ntime 200
tolmxf 1.0d-4


Thanks to all

Francois