Task 38620189
| Name | p38_2_A11_A33_r0_4-QUICO_ATM_OpenFF_NAGL_p38_2-3-6-RND9523_1 |
| Workunit | 31571408 |
| Created | 19 Apr 2026, 6:25:49 UTC |
| Sent | 19 Apr 2026, 6:26:01 UTC |
| Report deadline | 24 Apr 2026, 6:26:01 UTC |
| Received | 19 Apr 2026, 20:38:29 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 641545 |
| Run time | 3 hours 8 min 40 sec |
| CPU time | 3 hours 8 min 40 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 30,567.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 620.39 MB |
| Peak swap size | 5.34 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:42:49 (187108): wrapper (7.9.26016): starting
14:42:49 (187108): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A33_0.pdb
QB_A11_A33_0.xml
QB_A11_A33.inpcrd
QB_A11_A33_input.yaml
QB_A11_A33.pdb
QB_A11_A33.prmtop
QB_A11_A33_sys.xml
run.bat
run.sh
14:42:50 (187108): Library/usr/bin/tar.exe exited; CPU time 0.062500
14:42:50 (187108): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'E:\bonic2\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'E:\bonic2\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835322} normal block at 0x0000023DD8B3AF30, 8 bytes long.
Data: < = > 00 00 15 D9 3D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833984} normal block at 0x0000023DD8B2E560, 1080 bytes long.
Data: < p > A0 D2 02 00 CD CD CD CD 70 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000023DD8B320D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:54:37 (162580): wrapper (7.9.26016): starting
15:54:37 (162580): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
21:36:44 (162580): C:/Windows/system32/cmd.exe exited; CPU time 11320.250000
21:36:44 (162580): app exit status: 0x16
21:36:44 (162580): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 317336089 bytes.
Dumping objects ->
{1743} normal block at 0x000001D868DC1C20, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1732} normal block at 0x000001D868DC0E20, 32 bytes long.
Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1721} normal block at 0x000001D868DC0D60, 32 bytes long.
Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C
{1710} normal block at 0x000001D868DC0A00, 32 bytes long.
Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1699} normal block at 0x000001D868DC1240, 32 bytes long.
Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32
{1668} normal block at 0x000001D868DC1830, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
..\api\boinc_api.cpp(309) : {1655} normal block at 0x000001D868DC7FC0, 8 bytes long.
Data: < h > 00 00 D5 68 D8 01 00 00
{318} normal block at 0x000001D868DC7200, 8 bytes long.
Data: < k h > 00 6B DC 68 D8 01 00 00
{309} normal block at 0x000001D868DB2F50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{308} normal block at 0x000001D868DC7700, 16 bytes long.
Data: <H h > 48 84 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001D868DC7D40, 16 bytes long.
Data: < h > 20 84 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001D868DC0940, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{305} normal block at 0x000001D868DC7BB0, 16 bytes long.
Data: < h > F8 83 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001D868DC7A70, 16 bytes long.
Data: < h > D0 83 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001D868DC7CF0, 16 bytes long.
Data: < h > A8 83 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001D868DC7610, 16 bytes long.
Data: < h > 80 83 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001D868DC1AD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{300} normal block at 0x000001D868DC7CA0, 16 bytes long.
Data: < h > B8 00 DB 68 D8 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D868DC13C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{298} normal block at 0x000001D868DC75C0, 16 bytes long.
Data: < h > 90 00 DB 68 D8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D868DC7C50, 16 bytes long.
Data: <h h > 68 00 DB 68 D8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D868DC7840, 16 bytes long.
Data: <@ h > 40 00 DB 68 D8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D868DC7A20, 16 bytes long.
Data: < h > 18 00 DB 68 D8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D868DC7390, 16 bytes long.
Data: < h > F0 FF DA 68 D8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D868DC72A0, 16 bytes long.
Data: < h > C8 FF DA 68 D8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D868DC0BE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{290} normal block at 0x000001D868DC7570, 16 bytes long.
Data: < h > A0 FF DA 68 D8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D868DAFFA0, 320 bytes long.
Data: <pu h h > 70 75 DC 68 D8 01 00 00 E0 0B DC 68 D8 01 00 00
{288} normal block at 0x000001D868DC7930, 16 bytes long.
Data: <` h > 60 83 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D868DC79D0, 16 bytes long.
Data: <8 h > 38 83 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D868DC1000, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{285} normal block at 0x000001D868DC7ED0, 16 bytes long.
Data: < h > 10 83 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D868DC15A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{283} normal block at 0x000001D868DC7340, 16 bytes long.
Data: <X h > 58 82 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D868DC7250, 16 bytes long.
Data: <0 h > 30 82 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D868DC7890, 16 bytes long.
Data: < h > 08 82 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D868DC71B0, 16 bytes long.
Data: < h > E0 81 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D868DC7480, 16 bytes long.
Data: < h > B8 81 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D868DC77F0, 16 bytes long.
Data: < h > 90 81 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D868DC7160, 16 bytes long.
Data: < h > C0 1E DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D868DC1EC0, 40 bytes long.
Data: <`q h 0 h > 60 71 DC 68 D8 01 00 00 30 18 DC 68 D8 01 00 00
{274} normal block at 0x000001D868DC78E0, 16 bytes long.
Data: <p h > 70 81 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D868DC7520, 16 bytes long.
Data: <H h > 48 81 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D868DC0820, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{271} normal block at 0x000001D868DC8060, 16 bytes long.
Data: < h > 20 81 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D868DC8120, 992 bytes long.
Data: <` h h > 60 80 DC 68 D8 01 00 00 20 08 DC 68 D8 01 00 00
{106} normal block at 0x000001D868DC0E80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{105} normal block at 0x000001D868DBA260, 16 bytes long.
Data: < h > 80 19 DC 68 D8 01 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x000001D868DC1980, 40 bytes long.
Data: <` h h > 60 A2 DB 68 D8 01 00 00 80 0E DC 68 D8 01 00 00
{83} normal block at 0x000001D868DBB020, 16 bytes long.
Data: < > 80 EA 98 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001D868DBA530, 16 bytes long.
Data: <@ > 40 E9 98 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001D868DBB0C0, 16 bytes long.
Data: < W > F8 57 95 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001D868DBA3F0, 16 bytes long.
Data: < W > D8 57 95 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001D868DBA440, 16 bytes long.
Data: <P > 50 04 95 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001D868DBA3A0, 16 bytes long.
Data: <0 > 30 04 95 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001D868DBA670, 16 bytes long.
Data: < > E0 02 95 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001D868DBAE40, 16 bytes long.
Data: < > 10 04 95 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001D868DBAA80, 16 bytes long.
Data: <p > 70 04 95 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001D868DBA6C0, 16 bytes long.
Data: < > 18 C0 93 11 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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