Open jinhyokh opened 10 years ago
How did the bug manifest? With the compiler or at runtime? Segfault? This sounds like a job for my new debugging skills :-)
It was not a compiling or segfault issue. I dug up old logs from four runs with different tags. They seem to have had the same error. The following is a tail of one .out log.
chemdriv ......WARNING:
Monitor slow convergence in RADSLVR5
lots of lines
ERROR in RADSLVR5:
No Convergence in RADSLVR5, errbig = 0.9000000
statement number = 14
igrd,i, j, k = 1 2 39 12
LDARK is set T
1 NO 1.000E-15
2 NO2 5.386E-05
3 O3 4.678E-02
4 PAN 2.951E-05
5 CRES 1.000E-09
6 PAN2 1.000E-10
7 MPAN 1.007E-10
8 PBZN 1.000E-10
9 NPHE 1.234E-10
10 RNO3 1.009E-10
11 DCB2 1.000E-09
12 DCB3 1.000E-09
13 HNO4 2.000E-09
14 BALD 1.002E-12
15 HONO 1.000E-09
16 XN 1.015E-10
17 HCHO 1.045E-09
18 CCHO 8.412E-12
19 RCHO 1.569E-12
20 BACL 1.001E-12
21 PROD 1.000E-09
22 DCB1 1.000E-09
23 PHEN 2.395E-12
24 ISOP 1.000E-09
25 ISPD 2.012E-12
26 MVK 1.610E-12
27 METH 2.491E-12
28 MGLY 1.005E-12
29 GLY 2.972E-12
30 TERP 1.000E-12
31 HNO3 5.713E-05
32 HO2H 1.061E-12
33 HC2H 2.343E-12
34 CO2H 6.915E-10
35 CO3H 7.254E-12
36 RC2H 1.615E-12
37 RC3H 1.000E-12
38 ACET 2.439E-12
39 MEK 1.117E-12
40 MEOH 6.925E-11
41 COOH 1.191E-11
42 ROOH 1.444E-12
43 CO 6.998E-02
44 ETHE 1.000E-09
45 ALK1 1.000E-03
46 ALK2 1.000E-04
47 ALK3 1.000E-12
48 ALK4 1.000E-12
49 ALK5 1.000E-12
50 ARO1 1.000E-12
51 ARO2 1.000E-12
52 OLE1 1.000E-12
53 OLE2 1.000E-12
54 NXOY 1.000E-12
55 SO2 1.430E-04
56 SULF 1.000E-12
57 NH3 2.328E-05
58 H2O2 1.000E-09
59 HCL 4.097E-12
60 BPIN 1.000E-12
61 LIMO 1.000E-12
62 MONO 1.000E-12
63 SESQ 1.000E-12
64 CPO1 2.202E-12
65 CPO2 2.202E-12
66 CPO3 2.201E-12
67 CPO4 1.271E-12
68 CPO5 1.273E-12
69 CPO6 1.273E-12
70 CPO7 1.273E-12
71 CPO8 1.273E-12
72 COO1 2.202E-12
73 COO2 2.202E-12
74 COO3 2.201E-12
75 COO4 1.271E-12
76 COO5 1.273E-12
77 COO6 1.273E-12
78 COO7 1.273E-12
79 COO8 1.273E-12
80 CBS1 2.669E-12
81 CBS2 2.671E-12
82 CBS3 1.416E-12
83 CBS4 1.416E-12
84 CBS5 1.407E-12
85 CAS1 3.003E-12
86 CAS2 2.997E-12
87 CAS3 1.455E-12
88 CAS4 1.457E-12
89 CAS5 1.462E-12
90 CNS1 2.202E-12
91 CNS2 2.202E-12
92 CNS3 2.201E-12
93 CNS4 1.271E-12
94 CNS5 1.273E-12
95 CNS6 1.273E-12
96 CNS7 1.273E-12
97 CNS8 1.273E-12
The radicals are:
1 O1D 0.000E+00
2 O 0.000E+00
3 N2O5 1.599E-07
4 NO3 3.855E-07
5 OH 1.000E-25
6 HO2 3.800E-10
7 RO2R 1.000E-25
8 R2O2 8.264E-11
9 RO2N 1.723E-11
10 CCO3 1.873E-08
11 RCO3 6.231E-14
12 MCO3 1.254E-13
13 BZCO 1.000E-25
14 CXO2 5.468E-08
15 HCO3 3.795E-20
16 TBUO 1.000E-25
17 BZO 2.377E-12
18 BZNO 8.089E-14
Currently solving 5 to 14
5 OH 1.000E-25 NaN
6 HO2 3.800E-10 2.922E-07
7 RO2R 1.000E-25 NaN
8 R2O2 8.264E-11 5.248E-09
9 RO2N 1.723E-11 0.000E+00
10 CCO3 1.873E-08 0.000E+00
11 RCO3 6.231E-14 0.000E+00
12 MCO3 1.254E-13 0.000E+00
13 BZCO 1.000E-25 NaN
14 CXO2 5.468E-08 0.000E+00
CAMx is stopping because of the error(s) described above
Oh right....that thing. Ok, let's keep this issue open till we have time
I am reporting an old bug. I had no problem running PSAT with 20 tags or less, but was not able to run with 25 or more tags. I could not track down what is causing the problem.