Task 38615638
| Name | p38_2_A29_A01_r0_5-QUICO_ATM_GAFF2_NAGL_p38_2-0-6-RND0950_0 |
| Workunit | 31567935 |
| Created | 17 Apr 2026, 16:53:25 UTC |
| Sent | 17 Apr 2026, 17:28:40 UTC |
| Report deadline | 22 Apr 2026, 17:28:40 UTC |
| Received | 19 Apr 2026, 9:49:38 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 618180 |
| Run time | 1 hours 16 min 48 sec |
| CPU time | 1 hours 15 min 52 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,333.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.94 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 2.79 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:23:58 (4348): wrapper (7.9.26016): starting
17:23:58 (4348): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A01_0.pdb
QB_A29_A01_0.xml
QB_A29_A01.inpcrd
QB_A29_A01_input.yaml
QB_A29_A01.pdb
QB_A29_A01.prmtop
QB_A29_A01_sys.xml
run.bat
run.sh
17:24:00 (4348): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:24:00 (4348): 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 'C:\ProgramData\BOINC\slots\31\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 'C:\ProgramData\BOINC\slots\31\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.
17:35:03 (31344): wrapper (7.9.26016): starting
17:35:03 (31344): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1493} normal block at 0x000001A9F8F24420, 8 bytes long.
Data: < > 00 00 82 FA A9 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001A9F8F250D0, 1080 bytes long.
Data: <0{ > 30 7B 00 00 CD CD CD CD 00 02 00 00 00 00 00 00
Object dump complete.
03:33:13 (22296): wrapper (7.9.26016): starting
03:33:13 (22296): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.out: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
tar: r*/*.xml: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
04:48:07 (22296): C:/Windows/system32/cmd.exe exited; CPU time 4552.015625
04:48:07 (22296): app exit status: 0x2
04:48:07 (22296): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 58476309 bytes.
Dumping objects ->
{1582} normal block at 0x0000013EB95A22C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x0000013EB95A1FB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x0000013EB95A1D10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1549} normal block at 0x0000013EB95A1CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1538} normal block at 0x0000013EB95A1ED0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1507} normal block at 0x0000013EB951D5F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1496} normal block at 0x0000013EB9565B30, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1493} normal block at 0x0000013EB95A4560, 8 bytes long.
Data: < > > 00 00 0C BB 3E 01 00 00
{895} normal block at 0x0000013EB95A3760, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x0000013EB95A4470, 8 bytes long.
Data: < PZ > > D0 50 5A B9 3E 01 00 00
{301} normal block at 0x0000013EB9522A20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000013EB95A4420, 16 bytes long.
Data: < ;Z > > F8 3B 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000013EB95A4830, 16 bytes long.
Data: < ;Z > > D0 3B 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000013EB959D700, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000013EB95A4290, 16 bytes long.
Data: < ;Z > > A8 3B 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000013EB95A3F70, 16 bytes long.
Data: < ;Z > > 80 3B 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000013EB95A4600, 16 bytes long.
Data: <X;Z > > 58 3B 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000013EB95A4650, 16 bytes long.
Data: <0;Z > > 30 3B 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000013EB95A2090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000013EB95A3E30, 16 bytes long.
Data: < 4Z > > D8 34 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000013EB959D1C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000013EB95A4AB0, 16 bytes long.
Data: < 4Z > > B0 34 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000013EB95A4150, 16 bytes long.
Data: < 4Z > > 88 34 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000013EB95A4060, 16 bytes long.
Data: <`4Z > > 60 34 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000013EB95A4880, 16 bytes long.
Data: <84Z > > 38 34 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000013EB95A48D0, 16 bytes long.
Data: < 4Z > > 10 34 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000013EB95A3E80, 16 bytes long.
Data: < 3Z > > E8 33 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000013EB959DD60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000013EB95A40B0, 16 bytes long.
Data: < 3Z > > C0 33 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000013EB95A33C0, 320 bytes long.
Data: < @Z > ` Y > > B0 40 5A B9 3E 01 00 00 60 DD 59 B9 3E 01 00 00
{280} normal block at 0x0000013EB95A4A60, 16 bytes long.
Data: < ;Z > > 10 3B 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000013EB95A3F20, 16 bytes long.
Data: < :Z > > E8 3A 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000013EB959D3A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000013EB95A41F0, 16 bytes long.
Data: < :Z > > C0 3A 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000013EB959DB80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000013EB95A4510, 16 bytes long.
Data: < :Z > > 08 3A 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000013EB95A4B50, 16 bytes long.
Data: < 9Z > > E0 39 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000013EB95A3ED0, 16 bytes long.
Data: < 9Z > > B8 39 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000013EB959ECC0, 16 bytes long.
Data: < 9Z > > 90 39 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000013EB959E6D0, 16 bytes long.
Data: <h9Z > > 68 39 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000013EB959E680, 16 bytes long.
Data: <@9Z > > 40 39 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000013EB959E630, 16 bytes long.
Data: < Z > > C0 1B 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000013EB95A1BC0, 40 bytes long.
Data: <0 Y > Q > > 30 E6 59 B9 3E 01 00 00 F0 D5 51 B9 3E 01 00 00
{266} normal block at 0x0000013EB959EC70, 16 bytes long.
Data: < 9Z > > 20 39 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000013EB959EBD0, 16 bytes long.
Data: < 8Z > > F8 38 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000013EB959D940, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000013EB959E540, 16 bytes long.
Data: < 8Z > > D0 38 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000013EB95A38D0, 992 bytes long.
Data: <@ Y > @ Y > > 40 E5 59 B9 3E 01 00 00 40 D9 59 B9 3E 01 00 00
{98} normal block at 0x0000013EB959D520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000013EB959EEA0, 16 bytes long.
Data: <@ Z > > 40 1F 5A B9 3E 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000013EB95A1F40, 40 bytes long.
Data: < Y > Y > > A0 EE 59 B9 3E 01 00 00 20 D5 59 B9 3E 01 00 00
{75} normal block at 0x0000013EB959E180, 16 bytes long.
Data: < p > 80 EA E3 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000013EB959EC20, 16 bytes long.
Data: <@ p > 40 E9 E3 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000013EB959E1D0, 16 bytes long.
Data: < W p > F8 57 E0 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000013EB959E7C0, 16 bytes long.
Data: < W p > D8 57 E0 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000013EB959E9F0, 16 bytes long.
Data: <P p > 50 04 E0 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000013EB959E950, 16 bytes long.
Data: <0 p > 30 04 E0 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000013EB959E720, 16 bytes long.
Data: < p > E0 02 E0 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000013EB959E400, 16 bytes long.
Data: < p > 10 04 E0 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000013EB959EEF0, 16 bytes long.
Data: <p p > 70 04 E0 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000013EB959E770, 16 bytes long.
Data: < p > 18 C0 DE 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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