Hi steve,
I am trying to simulate PPPM using FFTW which I have installed for first time.
I encountered the following error during simulation:
LAMMPS (25 Mar 2011)
Scanning data file …
2 = max bonds/atom
1 = max angles/atom
Reading data file …
orthogonal box = (0 0 0) to (3.10737 3.10737 3.10737)
1 by 1 by 1 processor grid
3 atoms
2 bonds
1 angles
Finding 1-2 1-3 1-4 neighbors …
2 = max # of 1-2 neighbors
1 = max # of 1-3 neighbors
1 = max # of 1-4 neighbors
2 = max # of special neighbors
Replicating atoms …
orthogonal box = (0 0 0) to (31.0737 31.0737 31.0737)
1 by 1 by 1 processor grid
3000 atoms
2000 bonds
1000 angles
Finding 1-2 1-3 1-4 neighbors …
2 = max # of 1-2 neighbors
1 = max # of 1-3 neighbors
1 = max # of 1-4 neighbors
2 = max # of special neighbors
Finding SHAKE clusters …
0 = # of size 2 clusters
0 = # of size 3 clusters
0 = # of size 4 clusters
1000 = # of frozen angles
PPPM initialization …
G vector = 0.315973
grid = 20 20 20
stencil order = 5
RMS precision = 5.50411e-05
brick FFT buffer size/proc = 19683 8000 8748
Setting up run …
*** glibc detected *** ./lmp_serial: free(): invalid next size (normal): 0x0a200d60 ***
======= Backtrace: =========
/lib/libc.so.6(+0x6c501)[0xb74c8501]
/lib/libc.so.6(+0x6dd70)[0xb74c9d70]
/lib/libc.so.6(cfree+0x6d)[0xb74cce5d]
./lmp_serial[0x815d027]
./lmp_serial[0x8067445]
./lmp_serial[0x8063a4d]
./lmp_serial[0x807bb4b]
./lmp_serial[0x8220133]
./lmp_serial[0x8205216]
./lmp_serial[0x81542e2]
./lmp_serial[0x8154727]
./lmp_serial[0x815ce78]
/lib/libc.so.6(__libc_start_main+0xe7)[0xb7472ce7]
./lmp_serial[0x80494e1]
======= Memory map: ========
08048000-08295000 r-xp 00000000 08:07 5312340 /home/saurav/Desktop/water/lmp_serial
08295000-08296000 r–p 0024c000 08:07 5312340 /home/saurav/Desktop/water/lmp_serial
08296000-08297000 rw-p 0024d000 08:07 5312340 /home/saurav/Desktop/water/lmp_serial
0a158000-0a6dd000 rw-p 00000000 00:00 0 [heap]
b7000000-b7021000 rw-p 00000000 00:00 0
b7021000-b7100000 —p 00000000 00:00 0
b7106000-b718d000 rw-p 00000000 00:00 0
b718d000-b7214000 rw-p 00000000 00:00 0
b7214000-b72b3000 rw-p 00000000 00:00 0
b72bc000-b7387000 rw-p 00000000 00:00 0
b739a000-b745c000 rw-p 00000000 00:00 0
b745c000-b75b3000 r-xp 00000000 08:07 1572985 /lib/libc-2.12.1.so
b75b3000-b75b5000 r–p 00157000 08:07 1572985 /lib/libc-2.12.1.so
b75b5000-b75b6000 rw-p 00159000 08:07 1572985 /lib/libc-2.12.1.so
b75b6000-b75b9000 rw-p 00000000 00:00 0
b75b9000-b75d3000 r-xp 00000000 08:07 1572887 /lib/libgcc_s.so.1
b75d3000-b75d4000 r–p 00019000 08:07 1572887 /lib/libgcc_s.so.1
b75d4000-b75d5000 rw-p 0001a000 08:07 1572887 /lib/libgcc_s.so.1
b75d5000-b75d6000 rw-p 00000000 00:00 0
b75d6000-b75fa000 r-xp 00000000 08:07 1572994 /lib/libm-2.12.1.so
b75fa000-b75fb000 r–p 00023000 08:07 1572994 /lib/libm-2.12.1.so
b75fb000-b75fc000 rw-p 00024000 08:07 1572994 /lib/libm-2.12.1.so
b75fc000-b76db000 r-xp 00000000 08:07 3999353 /usr/lib/libstdc++.so.6.0.14
b76db000-b76df000 r–p 000de000 08:07 3999353 /usr/lib/libstdc++.so.6.0.14
b76df000-b76e0000 rw-p 000e2000 08:07 3999353 /usr/lib/libstdc++.so.6.0.14
b76e0000-b76e7000 rw-p 00000000 00:00 0
b76f7000-b76fc000 rw-p 00000000 00:00 0
b76fc000-b76fd000 r-xp 00000000 00:00 0 [vdso]
b76fd000-b7719000 r-xp 00000000 08:07 1572971 /lib/ld-2.12.1.so
b7719000-b771a000 r–p 0001b000 08:07 1572971 /lib/ld-2.12.1.so
b771a000-b771b000 rw-p 0001c000 08:07 1572971 /lib/ld-2.12.1.so
bfc91000-bfcb2000 rw-p 00000000 00:00 0 [stack]
Aborted