Task 38611778
| Name | MCL1_A27_A40_r0_2-QUICO_ATM_OpenFF_MCL1-0-6-RND8563_3 |
| Workunit | 31560443 |
| Created | 15 Apr 2026, 23:19:34 UTC |
| Sent | 15 Apr 2026, 23:19:49 UTC |
| Report deadline | 20 Apr 2026, 23:19:49 UTC |
| Received | 16 Apr 2026, 20:36:05 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 649615 |
| Run time | 1 min 53 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 4,283.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 10.95 MB |
| Peak swap size | 5.17 MB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
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(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:39:12 (39260): wrapper (7.9.26016): starting
08:39:12 (39260): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A40_0.pdb
QB_A27_A40_0.xml
QB_A27_A40.inpcrd
QB_A27_A40_input.yaml
QB_A27_A40.pdb
QB_A27_A40.prmtop
QB_A27_A40_sys.xml
run.bat
run.sh
08:39:19 (39260): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:39:19 (39260): 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\1\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\1\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: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
05:29:37 (24996): wrapper (7.9.26016): starting
05:29:37 (24996): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
05:33:08 (24996): C:/Windows/system32/cmd.exe exited; CPU time 156.984375
05:33:08 (24996): app exit status: 0x40010004
05:33:08 (24996): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 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: 3109190 bytes.
Dumping objects ->
{1551} normal block at 0x000001FE169B5D90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1540} normal block at 0x000001FE169B5BD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x000001FE169B5B60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1518} normal block at 0x000001FE169B5AF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1507} normal block at 0x000001FE169B5930, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1476} normal block at 0x000001FE169A05D0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001FE169B6400, 8 bytes long.
Data: < A > 00 00 41 18 FE 01 00 00
{306} normal block at 0x000001FE169B6810, 8 bytes long.
Data: < v > F0 76 9B 16 FE 01 00 00
{297} normal block at 0x000001FE169A2370, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001FE169B6B30, 16 bytes long.
Data: < u > F8 75 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FE169B6AE0, 16 bytes long.
Data: < u > D0 75 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FE169AFEA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001FE169B6680, 16 bytes long.
Data: < u > A8 75 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FE169B6EA0, 16 bytes long.
Data: < u > 80 75 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FE169B70D0, 16 bytes long.
Data: <Xu > 58 75 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FE169B6FE0, 16 bytes long.
Data: <0u > 30 75 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FE169B57E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001FE169B6A90, 16 bytes long.
Data: <h > 68 05 9A 16 FE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FE169AFD80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001FE169B7260, 16 bytes long.
Data: <@ > 40 05 9A 16 FE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FE169B6CC0, 16 bytes long.
Data: < > 18 05 9A 16 FE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FE169B6A40, 16 bytes long.
Data: < > F0 04 9A 16 FE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FE169B65E0, 16 bytes long.
Data: < > C8 04 9A 16 FE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FE169B6F90, 16 bytes long.
Data: < > A0 04 9A 16 FE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FE169B69F0, 16 bytes long.
Data: <x > 78 04 9A 16 FE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FE169B08C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001FE169B6630, 16 bytes long.
Data: <P > 50 04 9A 16 FE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FE169A0450, 320 bytes long.
Data: <0f > 30 66 9B 16 FE 01 00 00 C0 08 9B 16 FE 01 00 00
{276} normal block at 0x000001FE169B6450, 16 bytes long.
Data: < u > 10 75 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FE169B6DB0, 16 bytes long.
Data: < t > E8 74 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FE169B0A40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001FE169B69A0, 16 bytes long.
Data: < t > C0 74 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FE169B0200, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001FE169B6D60, 16 bytes long.
Data: < t > 08 74 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FE169B6950, 16 bytes long.
Data: < s > E0 73 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FE169B6900, 16 bytes long.
Data: < s > B8 73 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FE169B71C0, 16 bytes long.
Data: < s > 90 73 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FE169B7210, 16 bytes long.
Data: <hs > 68 73 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FE169B6C20, 16 bytes long.
Data: <@s > 40 73 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FE169B6770, 16 bytes long.
Data: < Z > 10 5A 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FE169B5A10, 40 bytes long.
Data: <pg > 70 67 9B 16 FE 01 00 00 D0 05 9A 16 FE 01 00 00
{262} normal block at 0x000001FE169B6C70, 16 bytes long.
Data: < s > 20 73 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FE169B6BD0, 16 bytes long.
Data: < r > F8 72 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FE169B05C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001FE169B68B0, 16 bytes long.
Data: < r > D0 72 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FE169B72D0, 992 bytes long.
Data: < h > B0 68 9B 16 FE 01 00 00 C0 05 9B 16 FE 01 00 00
{94} normal block at 0x000001FE169B0860, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001FE169AE7E0, 16 bytes long.
Data: < Z > 80 5A 9B 16 FE 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001FE169B5A80, 40 bytes long.
Data: < ` > E0 E7 9A 16 FE 01 00 00 60 08 9B 16 FE 01 00 00
{69} normal block at 0x000001FE169AE470, 16 bytes long.
Data: < Y > 80 EA F4 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FE169AE3D0, 16 bytes long.
Data: <@ Y > 40 E9 F4 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FE169AE4C0, 16 bytes long.
Data: < W Y > F8 57 F1 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FE169AE380, 16 bytes long.
Data: < W Y > D8 57 F1 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FE169AE150, 16 bytes long.
Data: <P Y > 50 04 F1 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FE169ADA70, 16 bytes long.
Data: <0 Y > 30 04 F1 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FE169AE100, 16 bytes long.
Data: < Y > E0 02 F1 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FE169AE6F0, 16 bytes long.
Data: < Y > 10 04 F1 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FE169ADF20, 16 bytes long.
Data: <p Y > 70 04 F1 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FE169AD9D0, 16 bytes long.
Data: < Y > 18 C0 EF 59 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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