Dear all
I want to simulate a system with 2 type of atom that are in box with reflective walls. But I see follow error:
Reading data file …
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 1 by 1 processor grid
2 atoms
Setting up run …
Memory usage per processor = 1.27882 Mbytes
Step Temp E_pair E_mol TotEng Press
0 100 0.014498733 0 0.027424747 21.614281
200 305.1277 -0.012016465 0 0.027424386 2.7104507
400 255.46739 -0.0055972734 0 0.027424478 1.4545887
600 229.96031 -0.00230023 0 0.027424472 1.7916735
800 222.18348 -0.0012975772 0 0.027421891 1.9268015
1000 222.37217 -0.0013219684 0 0.027421891 1.9233666
1200 222.17723 -0.0012967702 0 0.027421891 1.9269153
1400 221.62499 -0.0012253867 0 0.027421891 1.9370073
1600 220.78701 -0.0011170695 0 0.027421891 1.9524305
1800 219.76296 -0.0009847002 0 0.027421891 1.9714553
2000 218.65891 -0.00084199088 0 0.027421891 1.9921803
2200 217.56817 -0.00070100184 0 0.027421891 2.0128696
2400 217.26274 -0.00066144756 0 0.027421966 2.0187174
2600 217.11069 -0.00064179257 0 0.027421966 2.0216265
2800 216.89877 -0.00061440057 0 0.027421966 2.0256874
3000 216.63691 -0.0005805519 0 0.027421966 2.0307163
3200 216.33663 -0.00054173782 0 0.027421966 2.0364975
3400 216.01017 -0.00049953925 0 0.027421966 2.0428004
3600 215.66955 -0.00045551069 0 0.027421966 2.049396
3800 215.32583 -0.00041108152 0 0.027421966 2.0560716
4000 214.98854 -0.00036748338 0 0.027421966 2.0626418
4200 214.66534 -0.00032570698 0 0.027421966 2.0689554
4400 214.36193 -0.00028648742 0 0.027421966 2.0748985
4600 214.08207 -0.00025031339 0 0.027421966 2.0803936
4800 214.03504 0 0 0.0276662 2.1376416
5000 214.03504 0 0 0.0276662 2.1376416
5200 214.03504 0 0 0.0276662 2.1376416
5400 214.03504 0 0 0.0276662 2.1376416
5600 214.03504 0 0 0.0276662 2.1376416
5800 214.03504 0 0 0.0276662 2.1376416
6000 214.03504 0 0 0.0276662 2.1376416
6200 214.03504 0 0 0.0276662 2.1376416
6400 214.03504 0 0 0.0276662 2.1376416
6600 214.03504 0 0 0.0276662 2.1376416
6800 214.03504 0 0 0.0276662 2.1376416
7000 214.03504 0 0 0.0276662 2.1376416
7200 214.03504 0 0 0.0276662 2.1376416
7400 214.03504 0 0 0.0276662 2.1376416
7600 214.03504 0 0 0.0276662 2.1376416
7800 214.03504 0 0 0.0276662 2.1376416
8000 214.03504 0 0 0.0276662 2.1376416
8200 214.03504 0 0 0.0276662 2.1376416
8400 214.03504 0 0 0.0276662 2.1376416
8600 214.03504 0 0 0.0276662 2.1376416
8800 214.03504 0 0 0.0276662 2.1376416
9000 214.03504 0 0 0.0276662 2.1376416
9200 214.03504 0 0 0.0276662 2.1376416
9400 214.03504 0 0 0.0276662 2.1376416
9600 214.03504 0 0 0.0276662 2.1376416
9800 214.03504 0 0 0.0276662 2.1376416
10000 214.03504 0 0 0.0276662 2.1376416
10200 214.03504 0 0 0.0276662 2.1376416
10400 214.03504 0 0 0.0276662 2.1376416
10600 214.03504 0 0 0.0276662 2.1376416
10800 214.03504 0 0 0.0276662 2.1376416
11000 214.03504 0 0 0.0276662 2.1376416
11200 214.03504 0 0 0.0276662 2.1376416
11400 214.03504 0 0 0.0276662 2.1376416
11600 214.03504 0 0 0.0276662 2.1376416
11800 214.03504 0 0 0.0276662 2.1376416
12000 214.03504 0 0 0.0276662 2.1376416
12200 214.03504 0 0 0.0276662 2.1376416
12400 214.03504 0 0 0.0276662 2.1376416
12600 214.03504 0 0 0.0276662 2.1376416
12800 214.03504 0 0 0.0276662 2.1376416
13000 214.03504 0 0 0.0276662 2.1376416
13200 214.03504 0 0 0.0276662 2.1376416
13400 214.03504 0 0 0.0276662 2.1376416
13600 214.03504 0 0 0.0276662 2.1376416
13800 214.03504 0 0 0.0276662 2.1376416
14000 214.03504 0 0 0.0276662 2.1376416
14200 214.03504 0 0 0.0276662 2.1376416
14400 214.03504 0 0 0.0276662 2.1376416
14600 214.03504 0 0 0.0276662 2.1376416
14800 214.03504 0 0 0.0276662 2.1376416
15000 214.03504 0 0 0.0276662 2.1376416
15200 214.03504 0 0 0.0276662 2.1376416
15400 214.03504 0 0 0.0276662 2.1376416
15600 214.03504 0 0 0.0276662 2.1376416
15800 214.03504 0 0 0.0276662 2.1376416
16000 214.03504 0 0 0.0276662 2.1376416
ERROR: Lost atoms: original 2 current 1