Error: Cannot open dump file

Dear all,

I am attaching my code below, which displays an error message depicting
“Cannot open dump..cfg
Last command: rerun dump.
.cfg every 1 dump x y z fx fy fz q box yes”
Kindly let me know how to transcend through this barrier.
Waiting a helpful solution.

MOLECULE FILE IS AS BELOW:

16 atoms
16 bonds
31 angles
10 impropers

16 atom types
16 bond types
31 angle types
10 improper types

-1.874300 48.125700 xlo xhi
-0.959350 49.040650 ylo yhi
-0.959590 49.040410 zlo zhi

Masses

1 12.011
2 12.011
3 12.011
4 12.011
5 12.011
6 15.999
7 1.008
8 1.008
9 1.008
10 1.008
11 1.008
12 1.008
13 1.008
14 1.008
15 1.008
16 1.008

Pair Coeffs

1 0.066 3.5000000
2 0.066 3.5000000
3 0.066 3.5000000
4 0.066 3.5000000
5 0.066 3.5000000
6 0.170 3.1200000
7 0.030 2.5000000
8 0.030 2.5000000
9 0.030 2.5000000
10 0.030 2.5000000
11 0.030 2.5000000
12 0.030 2.5000000
13 0.030 2.5000000
14 0.030 2.5000000
15 0.030 2.5000000
16 0.000 0.0000000

Bond Coeffs

1 268.0000 1.5290
2 268.0000 1.5290
3 268.0000 1.5290
4 268.0000 1.5290
5 320.0000 1.4100
6 340.0000 1.0900
7 340.0000 1.0900
8 340.0000 1.0900
9 340.0000 1.0900
10 340.0000 1.0900
11 340.0000 1.0900
12 340.0000 1.0900
13 340.0000 1.0900
14 340.0000 1.0900
15 553.0000 0.9450
16 268.0000 1.5290

Angle Coeffs

1 58.350 112.700
2 58.350 112.700
3 58.350 112.700
4 50.000 109.500
5 37.500 110.700
6 37.500 110.700
7 37.500 110.700
8 37.500 110.700
9 37.500 110.700
10 37.500 110.700
11 37.500 110.700
12 37.500 110.700
13 37.500 110.700
14 55.000 108.500
15 50.000 109.500
16 37.500 110.700
17 37.500 110.700
18 33.000 107.800
19 33.000 107.800
20 37.500 110.700
21 37.500 110.700
22 58.350 112.700
23 33.000 107.800
24 37.500 110.700
25 37.500 110.700
26 35.000 109.500
27 37.500 110.700
28 37.500 110.700
29 33.000 107.800
30 58.350 112.700
31 37.500 110.700

Improper Coeffs

1 0.000 -1 2
2 0.000 -1 2
3 0.000 -1 2
4 0.000 -1 2
5 0.000 -1 2
6 0.000 -1 2
7 0.000 -1 2
8 0.000 -1 2
9 0.000 -1 2
10 0.000 -1 2

Atoms

1 1 1 -0.18760000 1.000 1.00000 0.00000
2 1 2 -0.18470000 -0.520 1.00000 0.00000
3 1 3 -0.22290000 -0.854 1.00000 1.48150
4 1 4 0.06970000 0.187 0.06764 2.09766
5 1 5 -0.22880000 1.374 0.05277 1.13652
6 1 6 -0.58160000 0.571 0.52195 3.38495
7 1 7 0.09400000 1.374 2.00753 0.21804
8 1 8 0.09400000 1.417 0.68136 -0.95959
9 1 9 0.09760000 -0.900 0.09000 -0.47832
10 1 10 0.09760000 -0.936 1.86690 -0.52121
11 1 11 0.10210000 -1.874 0.65069 1.66998
12 1 12 0.10210000 -0.773 2.01259 1.89493
13 1 13 0.13280000 -0.218 -0.94432 2.20535
14 1 14 0.10450000 1.499 -0.95935 0.73371
15 1 15 0.10450000 2.318 0.34418 1.60840
16 1 16 0.40690000 0.966 1.40503 3.28568

Bonds

1 1 2 1
2 2 3 2
3 3 4 3
4 4 5 1
5 5 6 4
6 6 7 1
7 7 8 1
8 8 9 2
9 9 10 2
10 10 11 3
11 11 12 3
12 12 13 4
13 13 14 5
14 14 15 5
15 15 16 6
16 16 5 4

Angles

1 1 1 2 3
2 2 2 3 4
3 3 2 1 5
4 4 3 4 6
5 5 2 1 7
6 6 2 1 8
7 7 1 2 9
8 8 1 2 10
9 9 2 3 11
10 10 2 3 12
11 11 3 4 13
12 12 1 5 14
13 13 1 5 15
14 14 4 6 16
15 15 5 4 6
16 16 4 3 11
17 17 5 1 8
18 18 9 2 10
19 19 11 3 12
20 20 5 1 7
21 21 4 5 15
22 22 1 5 4
23 23 14 5 15
24 24 5 4 13
25 25 3 2 9
26 26 6 4 13
27 27 4 5 14
28 28 4 3 12
29 29 7 1 8
30 30 3 4 5
31 31 3 2 10

Impropers

1 1 4 3 5 6
2 2 1 2 5 7
3 3 1 2 5 8
4 4 2 9 3 1
5 5 2 1 10 3
6 6 3 2 11 4
7 7 3 4 2 12
8 8 4 5 3 13
9 9 5 1 4 14
10 10 5 1 4 15

CODE IS AS BELOW:

#-----INITIALIZATION-----
units real
dimension 3
boundary p p p
atom_style full
#-----Atom definition-----
lattice sc 5
region whole block 0 10 0 10 0 10
#-----Force Fields-----
pair_style lj/cut/coul/long 15.0 15.0
pair_modify tail yes
bond_style harmonic
angle_style harmonic
improper_style cvff
kspace_style pppm 1.0e-4
read_data cyclopentanol.txt
replicate 5 5 4
#-----Define setting-----
compute eng all pe/atom
compute eatoms all reduce sum c_eng
#-----Equilibriation-----
reset_timestep 0
group cyclopentanol type 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
fix mynpt cyclopentanol npt temp 300.0 300.0 100 iso 1.0 1.0 1000 mtk yes tloop 10 ploop 10
velocity all create 300.0 13430
run 0
velocity all scale 300.0
thermo 1
thermo_style custom step temp pe ke etotal press
min_style cg
minimize 1e-25 1e-25 2000000 2000000
variable PotentialEnergy equal epair
timestep 1.0
#-----Output-----
dump mf1 cyclopentanol cfg 1 dump..cfg mass type xs ys zs vx vy vz
print “System is equilibiriated”
#-----RDF calculation-----
rerun dump.
.cfg every 1 dump x y z fx fy fz q box yes
special_bond coul 1e-50 1e-50 1e-50
compute 13 cyclopentanol rdf 150 cutoff 15
fix 07 cyclopentanol ave/time 1 10 10 c_myRDF[*] file tmp.rdf mode vector
print “The end is near . . .”

Dear all,

I am attaching my code below, which displays an error message depicting
“Cannot open dump..cfg
Last command: rerun dump.
.cfg every 1 dump x y z fx fy fz q box yes”
Kindly let me know how to transcend through this barrier.
Waiting a helpful solution.

MOLECULE FILE IS AS BELOW:

16 atoms
16 bonds
31 angles
10 impropers

16 atom types
16 bond types
31 angle types
10 improper types

-1.874300 48.125700 xlo xhi
-0.959350 49.040650 ylo yhi
-0.959590 49.040410 zlo zhi

Masses

1 12.011
2 12.011
3 12.011
4 12.011
5 12.011
6 15.999
7 1.008
8 1.008
9 1.008
10 1.008
11 1.008
12 1.008
13 1.008
14 1.008
15 1.008
16 1.008

Pair Coeffs

1 0.066 3.5000000
2 0.066 3.5000000
3 0.066 3.5000000
4 0.066 3.5000000
5 0.066 3.5000000
6 0.170 3.1200000
7 0.030 2.5000000
8 0.030 2.5000000
9 0.030 2.5000000
10 0.030 2.5000000
11 0.030 2.5000000
12 0.030 2.5000000
13 0.030 2.5000000
14 0.030 2.5000000
15 0.030 2.5000000
16 0.000 0.0000000

Bond Coeffs

1 268.0000 1.5290
2 268.0000 1.5290
3 268.0000 1.5290
4 268.0000 1.5290
5 320.0000 1.4100
6 340.0000 1.0900
7 340.0000 1.0900
8 340.0000 1.0900
9 340.0000 1.0900
10 340.0000 1.0900
11 340.0000 1.0900
12 340.0000 1.0900
13 340.0000 1.0900
14 340.0000 1.0900
15 553.0000 0.9450
16 268.0000 1.5290

Angle Coeffs

1 58.350 112.700
2 58.350 112.700
3 58.350 112.700
4 50.000 109.500
5 37.500 110.700
6 37.500 110.700
7 37.500 110.700
8 37.500 110.700
9 37.500 110.700
10 37.500 110.700
11 37.500 110.700
12 37.500 110.700
13 37.500 110.700
14 55.000 108.500
15 50.000 109.500
16 37.500 110.700
17 37.500 110.700
18 33.000 107.800
19 33.000 107.800
20 37.500 110.700
21 37.500 110.700
22 58.350 112.700
23 33.000 107.800
24 37.500 110.700
25 37.500 110.700
26 35.000 109.500
27 37.500 110.700
28 37.500 110.700
29 33.000 107.800
30 58.350 112.700
31 37.500 110.700

Improper Coeffs

1 0.000 -1 2
2 0.000 -1 2
3 0.000 -1 2
4 0.000 -1 2
5 0.000 -1 2
6 0.000 -1 2
7 0.000 -1 2
8 0.000 -1 2
9 0.000 -1 2
10 0.000 -1 2

Atoms

1 1 1 -0.18760000 1.000 1.00000 0.00000
2 1 2 -0.18470000 -0.520 1.00000 0.00000
3 1 3 -0.22290000 -0.854 1.00000 1.48150
4 1 4 0.06970000 0.187 0.06764 2.09766
5 1 5 -0.22880000 1.374 0.05277 1.13652
6 1 6 -0.58160000 0.571 0.52195 3.38495
7 1 7 0.09400000 1.374 2.00753 0.21804
8 1 8 0.09400000 1.417 0.68136 -0.95959
9 1 9 0.09760000 -0.900 0.09000 -0.47832
10 1 10 0.09760000 -0.936 1.86690 -0.52121
11 1 11 0.10210000 -1.874 0.65069 1.66998
12 1 12 0.10210000 -0.773 2.01259 1.89493
13 1 13 0.13280000 -0.218 -0.94432 2.20535
14 1 14 0.10450000 1.499 -0.95935 0.73371
15 1 15 0.10450000 2.318 0.34418 1.60840
16 1 16 0.40690000 0.966 1.40503 3.28568

Bonds

1 1 2 1
2 2 3 2
3 3 4 3
4 4 5 1
5 5 6 4
6 6 7 1
7 7 8 1
8 8 9 2
9 9 10 2
10 10 11 3
11 11 12 3
12 12 13 4
13 13 14 5
14 14 15 5
15 15 16 6
16 16 5 4

Angles

1 1 1 2 3
2 2 2 3 4
3 3 2 1 5
4 4 3 4 6
5 5 2 1 7
6 6 2 1 8
7 7 1 2 9
8 8 1 2 10
9 9 2 3 11
10 10 2 3 12
11 11 3 4 13
12 12 1 5 14
13 13 1 5 15
14 14 4 6 16
15 15 5 4 6
16 16 4 3 11
17 17 5 1 8
18 18 9 2 10
19 19 11 3 12
20 20 5 1 7
21 21 4 5 15
22 22 1 5 4
23 23 14 5 15
24 24 5 4 13
25 25 3 2 9
26 26 6 4 13
27 27 4 5 14
28 28 4 3 12
29 29 7 1 8
30 30 3 4 5
31 31 3 2 10

Impropers

1 1 4 3 5 6
2 2 1 2 5 7
3 3 1 2 5 8
4 4 2 9 3 1
5 5 2 1 10 3
6 6 3 2 11 4
7 7 3 4 2 12
8 8 4 5 3 13
9 9 5 1 4 14
10 10 5 1 4 15

CODE IS AS BELOW:

#-----INITIALIZATION-----
units real
dimension 3
boundary p p p
atom_style full
#-----Atom definition-----
lattice sc 5
region whole block 0 10 0 10 0 10
#-----Force Fields-----
pair_style lj/cut/coul/long 15.0 15.0
pair_modify tail yes
bond_style harmonic
angle_style harmonic
improper_style cvff
kspace_style pppm 1.0e-4
read_data cyclopentanol.txt
replicate 5 5 4
#-----Define setting-----
compute eng all pe/atom
compute eatoms all reduce sum c_eng
#-----Equilibriation-----
reset_timestep 0
group cyclopentanol type 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
fix mynpt cyclopentanol npt temp 300.0 300.0 100 iso 1.0 1.0 1000 mtk yes tloop 10 ploop 10
velocity all create 300.0 13430
run 0
velocity all scale 300.0
thermo 1
thermo_style custom step temp pe ke etotal press
min_style cg
minimize 1e-25 1e-25 2000000 2000000
variable PotentialEnergy equal epair
timestep 1.0
#-----Output-----
dump mf1 cyclopentanol cfg 1 dump..cfg mass type xs ys zs vx vy vz
print “System is equilibiriated”
#-----RDF calculation-----
rerun dump.
.cfg every 1 dump x y z fx fy fz q box yes
special_bond coul 1e-50 1e-50 1e-50
compute 13 cyclopentanol rdf 150 cutoff 15
fix 07 cyclopentanol ave/time 1 10 10 c_myRDF[*] file tmp.rdf mode vector
print “The end is near . . .”

Dear all,

I am attaching my code below, which displays an error message depicting
"Cannot open dump.*.cfg
Last command: rerun dump.*.cfg every 1 dump x y z fx fy fz q box yes"
Kindly let me know how to transcend through this barrier.

you define a dump style, but are not doing any computation after that,
so there will be no dump files to read, when you reach the re-run
command.

in fact, your whole input doesn't make much sense.

axel.

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