Task 38609174
| Name | hif2a_A28_A22_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a-1-6-RND0439_0 |
| Workunit | 31562300 |
| Created | 14 Apr 2026, 21:29:25 UTC |
| Sent | 14 Apr 2026, 21:29:32 UTC |
| Report deadline | 19 Apr 2026, 21:29:32 UTC |
| Received | 15 Apr 2026, 4:54:05 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 609406 |
| Run time | 4 hours 46 min 58 sec |
| CPU time | 4 hours 46 min 58 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,075.25 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 451.28 MB |
| Peak swap size | 9.40 GB |
| Peak disk usage | 2.89 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:31:30 (59540): wrapper (7.9.26016): starting
14:31:30 (59540): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A22_0.pdb
QB_A28_A22_0.xml
QB_A28_A22.inpcrd
QB_A28_A22_input.yaml
QB_A28_A22.pdb
QB_A28_A22.prmtop
QB_A28_A22_sys.xml
run.bat
run.sh
14:31:31 (59540): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:31:31 (59540): 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\19\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\19\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.
21:44:37 (32296): wrapper (7.9.26016): starting
21:44:37 (32296): 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\19\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
21:50:46 (32296): C:/Windows/system32/cmd.exe exited; CPU time 353.312500
21:50:46 (32296): app exit status: 0x40010004
21:50:46 (32296): 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: 7107315 bytes.
Dumping objects ->
{1542} normal block at 0x000001AEE0974990, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x000001AEE0974F40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x000001AEE0974A70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1509} normal block at 0x000001AEE0974920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1498} normal block at 0x000001AEE0974840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1467} normal block at 0x000001AEE095F290, 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) : {1454} normal block at 0x000001AEE09762B0, 8 bytes long.
Data: < > 00 00 8E E0 AE 01 00 00
{304} normal block at 0x000001AEE09755E0, 8 bytes long.
Data: <0h > 30 68 97 E0 AE 01 00 00
{295} normal block at 0x000001AEE0961FC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001AEE0975590, 16 bytes long.
Data: <8g > 38 67 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001AEE0975810, 16 bytes long.
Data: < g > 10 67 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AEE0971640, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001AEE0976170, 16 bytes long.
Data: < f > E8 66 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AEE0975C20, 16 bytes long.
Data: < f > C0 66 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AEE0975540, 16 bytes long.
Data: < f > 98 66 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AEE0975900, 16 bytes long.
Data: <pf > 70 66 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AEE0974ED0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001AEE09756D0, 16 bytes long.
Data: <( > 28 07 96 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AEE0970B00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001AEE0975BD0, 16 bytes long.
Data: < > 00 07 96 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AEE09759A0, 16 bytes long.
Data: < > D8 06 96 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AEE0976120, 16 bytes long.
Data: < > B0 06 96 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AEE0975F40, 16 bytes long.
Data: < > 88 06 96 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AEE09759F0, 16 bytes long.
Data: <` > 60 06 96 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AEE0975E00, 16 bytes long.
Data: <8 > 38 06 96 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AEE0970EC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001AEE09754F0, 16 bytes long.
Data: < > 10 06 96 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AEE0960610, 320 bytes long.
Data: < T > F0 54 97 E0 AE 01 00 00 C0 0E 97 E0 AE 01 00 00
{274} normal block at 0x000001AEE0975D10, 16 bytes long.
Data: <Pf > 50 66 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AEE0975450, 16 bytes long.
Data: <(f > 28 66 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AEE09712E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001AEE0975720, 16 bytes long.
Data: < f > 00 66 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AEE0970E00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001AEE09763A0, 16 bytes long.
Data: <He > 48 65 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AEE0975DB0, 16 bytes long.
Data: < e > 20 65 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AEE0975B30, 16 bytes long.
Data: < d > F8 64 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AEE09754A0, 16 bytes long.
Data: < d > D0 64 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AEE0976080, 16 bytes long.
Data: < d > A8 64 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AEE0975680, 16 bytes long.
Data: < d > 80 64 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AEE0975B80, 16 bytes long.
Data: < K > C0 4B 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AEE0974BC0, 40 bytes long.
Data: < [ > 80 5B 97 E0 AE 01 00 00 90 F2 95 E0 AE 01 00 00
{260} normal block at 0x000001AEE0975D60, 16 bytes long.
Data: <`d > 60 64 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AEE0976350, 16 bytes long.
Data: <8d > 38 64 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AEE0970B60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001AEE0975F90, 16 bytes long.
Data: < d > 10 64 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001AEE0976410, 992 bytes long.
Data: < _ ` > 90 5F 97 E0 AE 01 00 00 60 0B 97 E0 AE 01 00 00
{92} normal block at 0x000001AEE0970FE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001AEE096D7B0, 16 bytes long.
Data: < H > B0 48 97 E0 AE 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001AEE09748B0, 40 bytes long.
Data: < > B0 D7 96 E0 AE 01 00 00 E0 0F 97 E0 AE 01 00 00
{69} normal block at 0x000001AEE096D300, 16 bytes long.
Data: < ;5 > 80 EA 3B 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001AEE096D940, 16 bytes long.
Data: <@ ;5 > 40 E9 3B 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001AEE096D0D0, 16 bytes long.
Data: < W85 > F8 57 38 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AEE096D800, 16 bytes long.
Data: < W85 > D8 57 38 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AEE096D8F0, 16 bytes long.
Data: <P 85 > 50 04 38 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AEE096D080, 16 bytes long.
Data: <0 85 > 30 04 38 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AEE096DCB0, 16 bytes long.
Data: < 85 > E0 02 38 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AEE096DE40, 16 bytes long.
Data: < 85 > 10 04 38 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AEE096D8A0, 16 bytes long.
Data: <p 85 > 70 04 38 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AEE096DBC0, 16 bytes long.
Data: < 65 > 18 C0 36 35 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra