Dear users
I have a problem when I run the vibrator and the familiar "Fortran runtime
error" caused the code to stop. I have seen many topics about this error and
all of them form GCC site and I can't find a solution. Could anyone help me?
Your sincerely
Nasiri
vibrator < coronene36.fdf
redata: System Name = coronene36
redata: System Label = coronene36
Number of Atoms = 36
Lattice Constant = 37.79454 Bohr
Lattice vectors (in units of Lattice Constant) =
1.00000 0.00000 0.00000
0.00000 1.00000 0.00000
0.00000 0.00000 1.00000
Lattice vectors (in Bohr) =
37.79454 0.00000 0.00000
0.00000 37.79454 0.00000
0.00000 0.00000 37.79454
recoor: Atomic-coordinates input format = Cartesian coordinates
recoor: (in Angstroms)
recoor: Atomic coordinates (Bohr) and species
recoor: 1 2.37161 6.72365 0.00000 1
recoor: 2 0.00000 5.41218 0.00000 1
recoor: 3 0.00000 2.71176 0.00000 1
recoor: 4 2.34893 1.35682 0.00000 1
recoor: 5 4.68652 2.70609 0.00000 1
recoor: 6 4.63739 5.41596 0.00000 1
recoor: 7 -2.34893 1.35682 0.00000 1
recoor: 8 2.34893 -1.35682 0.00000 1
recoor: 9 0.00000 -2.71176 0.00000 1
recoor: 10 -2.34893 -1.35682 0.00000 1
recoor: 11 0.00000 -5.41218 0.00000 1
recoor: 12 2.37161 -6.72365 0.00000 1
recoor: 13 4.63739 -5.41596 0.00000 1
recoor: 14 4.68652 -2.70609 0.00000 1
recoor: 15 7.00900 -1.30769 0.00000 1
recoor: 16 7.00900 1.30769 0.00000 1
recoor: 17 8.78345 2.34326 0.00000 2
recoor: 18 8.78345 -2.34326 0.00000 2
recoor: 19 2.36216 8.77967 0.00000 2
recoor: 20 6.42129 6.43641 0.00000 2
recoor: 21 2.36216 -8.77967 0.00000 2
recoor: 22 6.42129 -6.43641 0.00000 2
recoor: 23 -2.37161 6.72365 0.00000 1
recoor: 24 -4.63739 5.41596 0.00000 1
recoor: 25 -4.68652 2.70609 0.00000 1
recoor: 26 -2.36216 8.77967 0.00000 2
recoor: 27 -6.42129 6.43641 0.00000 2
recoor: 28 -7.00900 1.30769 0.00000 1
recoor: 29 -7.00900 -1.30769 0.00000 1
recoor: 30 -4.68652 -2.70609 0.00000 1
recoor: 31 -8.78345 2.34326 0.00000 2
recoor: 32 -8.78345 -2.34326 0.00000 2
recoor: 33 -2.37161 -6.72365 0.00000 1
recoor: 34 -2.36216 -8.77967 0.00000 2
recoor: 35 -4.63739 -5.41596 0.00000 1
recoor: 36 -6.42129 -6.43641 0.00000 2
lxmax = 0
lymax = 0
lzmax = 0
Number of unit cells in Supercell = 1
Eigenvectors = True
Computing Eigenvalues and Eigenvectors
eigenvalue # 1 omega= -168.85753666525625
eigenvalue # 2 omega= -133.60573713877807
eigenvalue # 3 omega= -121.54941729933871
eigenvalue # 4 omega= -110.90174013078901
eigenvalue # 5 omega= -99.749277919748764
eigenvalue # 6 omega= -90.083077076681178
eigenvalue # 7 omega= -58.694544266527870
eigenvalue # 8 omega= -52.626623303401814
eigenvalue # 9 omega= -45.376121225776892
eigenvalue # 10 omega= -43.736373657465357
eigenvalue # 11 omega= -42.648817688569459
eigenvalue # 12 omega= -38.839596864377356
eigenvalue # 13 omega= -0.10273295354208219
eigenvalue # 14 omega= -8.7029675504071147E-002
eigenvalue # 15 omega= -5.9354628384510749E-002
eigenvalue # 16 omega= 30.853769190014759
eigenvalue # 17 omega= 70.341957600505381
eigenvalue # 18 omega= 70.559152018112869
eigenvalue # 19 omega= 72.404584738159954
eigenvalue # 20 omega= 76.648478571924883
eigenvalue # 21 omega= 90.837639896855151
eigenvalue # 22 omega= 94.264302495164301
eigenvalue # 23 omega= 104.10894100039582
eigenvalue # 24 omega= 106.48747834610091
eigenvalue # 25 omega= 118.50202515332684
eigenvalue # 26 omega= 121.79062186039529
eigenvalue # 27 omega= 126.99926407184333
eigenvalue # 28 omega= 136.04423221052491
eigenvalue # 29 omega= 139.66302675242721
eigenvalue # 30 omega= 152.31638420999138
eigenvalue # 31 omega= 155.61259095878492
eigenvalue # 32 omega= 195.35098263626890
eigenvalue # 33 omega= 206.40255867987719
eigenvalue # 34 omega= 209.01692338659882
eigenvalue # 35 omega= 219.45454874057535
eigenvalue # 36 omega= 228.51254971263401
eigenvalue # 37 omega= 229.44144017812971
eigenvalue # 38 omega= 262.09487191250400
eigenvalue # 39 omega= 271.29882399051877
eigenvalue # 40 omega= 280.71928554726196
eigenvalue # 41 omega= 291.14551219906690
eigenvalue # 42 omega= 299.38743934389430
eigenvalue # 43 omega= 318.92912979353190
eigenvalue # 44 omega= 325.86002988282758
eigenvalue # 45 omega= 335.61713031440638
eigenvalue # 46 omega= 353.73464039439273
eigenvalue # 47 omega= 362.61226683801368
eigenvalue # 48 omega= 375.71140474438334
eigenvalue # 49 omega= 387.64265882845189
eigenvalue # 50 omega= 404.02388611986623
eigenvalue # 51 omega= 408.14631641904271
eigenvalue # 52 omega= 449.94986285365405
eigenvalue # 53 omega= 450.05811371401779
eigenvalue # 54 omega= 476.28423119479038
eigenvalue # 55 omega= 498.08240169717811
eigenvalue # 56 omega= 537.46773958652466
eigenvalue # 57 omega= 557.14240714579546
eigenvalue # 58 omega= 570.25945557947500
eigenvalue # 59 omega= 589.60046181867995
eigenvalue # 60 omega= 595.10889742756513
eigenvalue # 61 omega= 640.49954571712863
eigenvalue # 62 omega= 679.68243017645329
eigenvalue # 63 omega= 687.60649792059485
eigenvalue # 64 omega= 716.99130454016245
eigenvalue # 65 omega= 728.63203837072331
eigenvalue # 66 omega= 768.34141262178196
eigenvalue # 67 omega= 778.33098328708218
eigenvalue # 68 omega= 787.10733661370591
eigenvalue # 69 omega= 823.35682589192402
eigenvalue # 70 omega= 859.54456491034762
eigenvalue # 71 omega= 911.97541370397710
eigenvalue # 72 omega= 934.44432486833944
eigenvalue # 73 omega= 945.08391736342605
eigenvalue # 74 omega= 972.50126510574114
eigenvalue # 75 omega= 980.04525261706078
eigenvalue # 76 omega= 992.43167036035845
eigenvalue # 77 omega= 1020.0000482744422
eigenvalue # 78 omega= 1040.6729300292377
eigenvalue # 79 omega= 1071.8551712531778
eigenvalue # 80 omega= 1079.2537041279379
eigenvalue # 81 omega= 1110.9905215237006
eigenvalue # 82 omega= 1130.0886374014440
eigenvalue # 83 omega= 1144.4063056307789
eigenvalue # 84 omega= 1180.5386543001587
eigenvalue # 85 omega= 1190.4701746247688
eigenvalue # 86 omega= 1324.2126260610619
eigenvalue # 87 omega= 1343.2954097557235
eigenvalue # 88 omega= 1371.9816719161975
eigenvalue # 89 omega= 1395.0591136517073
eigenvalue # 90 omega= 1453.3584797150513
eigenvalue # 91 omega= 1469.7224643744528
eigenvalue # 92 omega= 1541.6255690078024
eigenvalue # 93 omega= 1548.7267206118872
eigenvalue # 94 omega= 1582.0701961406380
eigenvalue # 95 omega= 1596.8459085942959
eigenvalue # 96 omega= 1625.3956027089846
eigenvalue # 97 omega= 1727.9270823384463
eigenvalue # 98 omega= 1790.9439476599521
eigenvalue # 99 omega= 1809.5660758502231
eigenvalue # 100 omega= 1947.0286801224231
eigenvalue # 101 omega= 2133.4064349619462
eigenvalue # 102 omega= 2220.6814122509841
eigenvalue # 103 omega= 2455.7274885172969
eigenvalue # 104 omega= 2683.7063789193721
eigenvalue # 105 omega= 2889.4772668427568
eigenvalue # 106 omega= 3268.9599515663722
eigenvalue # 107 omega= 4504.8217953441608
eigenvalue # 108 omega= 4759.5363758489248
Writing eigenvalues and eigenvectors
to output file coronene36.vectors
eigenvalue # 1 omega= -168.85753361312422
eigenvalue # 2 omega= -133.60573644405807
eigenvalue # 3 omega= -121.54941973435547
eigenvalue # 4 omega= -110.90173963022242
eigenvalue # 5 omega= -99.749274617730038
eigenvalue # 6 omega= -90.083083275270937
eigenvalue # 7 omega= -58.694543196847555
eigenvalue # 8 omega= -52.626620404311964
eigenvalue # 9 omega= -45.376117594981572
eigenvalue # 10 omega= -43.736309118785940
eigenvalue # 11 omega= -42.648776992193426
eigenvalue # 12 omega= -38.839611502055078
eigenvalue # 13 omega= -0.10976179199680290
eigenvalue # 14 omega= -5.0107366286634501E-002
eigenvalue # 15 omega= 6.1494626301003490E-002
eigenvalue # 16 omega= 30.853791009572788
eigenvalue # 17 omega= 70.341968502751982
eigenvalue # 18 omega= 70.559153454658713
eigenvalue # 19 omega= 72.404646450270803
eigenvalue # 20 omega= 76.648480055459004
eigenvalue # 21 omega= 90.837661354823922
eigenvalue # 22 omega= 94.264306460746937
eigenvalue # 23 omega= 104.10896739498908
eigenvalue # 24 omega= 106.48747696515460
eigenvalue # 25 omega= 118.50202380911306
eigenvalue # 26 omega= 121.79063377064097
eigenvalue # 27 omega= 126.99925394112212
eigenvalue # 28 omega= 136.04423356942183
eigenvalue # 29 omega= 139.66306777452638
eigenvalue # 30 omega= 152.31638026617233
eigenvalue # 31 omega= 155.61258266192303
eigenvalue # 32 omega= 195.35098353605372
eigenvalue # 33 omega= 206.40253673007868
eigenvalue # 34 omega= 209.01692397905092
eigenvalue # 35 omega= 219.45454589319107
eigenvalue # 36 omega= 228.51256116677294
eigenvalue # 37 omega= 229.44145060185724
eigenvalue # 38 omega= 262.09483307647599
eigenvalue # 39 omega= 271.29884340328914
eigenvalue # 40 omega= 280.71926795787658
eigenvalue # 41 omega= 291.14551939448160
eigenvalue # 42 omega= 299.38742936090171
eigenvalue # 43 omega= 318.92913032289840
eigenvalue # 44 omega= 325.86005382419410
eigenvalue # 45 omega= 335.61713316474913
eigenvalue # 46 omega= 353.73465686910305
eigenvalue # 47 omega= 362.61225777659604
eigenvalue # 48 omega= 375.71140023884789
eigenvalue # 49 omega= 387.64266570983807
eigenvalue # 50 omega= 404.02388467624337
eigenvalue # 51 omega= 408.14633934883852
eigenvalue # 52 omega= 449.94986616217773
eigenvalue # 53 omega= 450.05811713697983
eigenvalue # 54 omega= 476.28423982435208
eigenvalue # 55 omega= 498.08239732398266
eigenvalue # 56 omega= 537.46774820849259
eigenvalue # 57 omega= 557.14241011791012
eigenvalue # 58 omega= 570.25945658384455
eigenvalue # 59 omega= 589.60046183068516
eigenvalue # 60 omega= 595.10890050450530
eigenvalue # 61 omega= 640.49955594954918
eigenvalue # 62 omega= 679.68241890892000
eigenvalue # 63 omega= 687.60650872215831
eigenvalue # 64 omega= 716.99130751674647
eigenvalue # 65 omega= 728.63203873407861
eigenvalue # 66 omega= 768.34142583847267
eigenvalue # 67 omega= 778.33098057066502
eigenvalue # 68 omega= 787.10733503090705
eigenvalue # 69 omega= 823.35683397672926
eigenvalue # 70 omega= 859.54456586385845
eigenvalue # 71 omega= 911.97541977920127
eigenvalue # 72 omega= 934.44433090830387
eigenvalue # 73 omega= 945.08392182780847
eigenvalue # 74 omega= 972.50127064355604
eigenvalue # 75 omega= 980.04525930201385
eigenvalue # 76 omega= 992.43167422088754
eigenvalue # 77 omega= 1020.0000516644330
eigenvalue # 78 omega= 1040.6729372122008
eigenvalue # 79 omega= 1071.8551796419022
eigenvalue # 80 omega= 1079.2537117638565
eigenvalue # 81 omega= 1110.9905263193778
eigenvalue # 82 omega= 1130.0886262626530
eigenvalue # 83 omega= 1144.4063130074292
eigenvalue # 84 omega= 1180.5386566672810
eigenvalue # 85 omega= 1190.4701729169519
eigenvalue # 86 omega= 1324.2126279258364
eigenvalue # 87 omega= 1343.2954158718412
eigenvalue # 88 omega= 1371.9816720359213
eigenvalue # 89 omega= 1395.0591116857152
eigenvalue # 90 omega= 1453.3584727666234
eigenvalue # 91 omega= 1469.7224575726784
eigenvalue # 92 omega= 1541.6255686449138
eigenvalue # 93 omega= 1548.7267091006656
eigenvalue # 94 omega= 1582.0702023353781
eigenvalue # 95 omega= 1596.8459136179970
eigenvalue # 96 omega= 1625.3956035836297
eigenvalue # 97 omega= 1727.9270851669819
eigenvalue # 98 omega= 1790.9439390549735
eigenvalue # 99 omega= 1809.5660690717043
eigenvalue # 100 omega= 1947.0286788775461
eigenvalue # 101 omega= 2133.4064323445468
eigenvalue # 102 omega= 2220.6814155352517
eigenvalue # 103 omega= 2455.7274863977268
eigenvalue # 104 omega= 2683.7063747843581
eigenvalue # 105 omega= 2889.4772492327756
eigenvalue # 106 omega= 3268.9599615841134
eigenvalue # 107 omega= 4504.8217881530381
eigenvalue # 108 omega= 4759.5363691012362
At line 632 of file vibrator.f (unit = 11, file = 'coronene36.vectors')
Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker,
possibly use REWIND or BACKSPACE
