Task 38679165
| Name | test_593-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND4883_0 |
| Workunit | 31620956 |
| Created | 26 Oct 2026, 19:38:34 UTC |
| Sent | 26 Oct 2026, 19:38:41 UTC |
| Report deadline | 31 Oct 2026, 19:38:41 UTC |
| Received | 27 Oct 2026, 8:10:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 575758 |
| Run time | 1 hours 17 min 32 sec |
| CPU time | 1 hours 4 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,069.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 858.69 MB |
| Peak swap size | 5.28 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:57:35 (57248): wrapper (7.9.26016): starting
05:57:35 (57248): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
05:58:01 (57248): Library/usr/bin/tar.exe exited; CPU time 0.484375
05:58:02 (57248): 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\3\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\3\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.
07:12:55 (11896): wrapper (7.9.26016): starting
07:12:55 (11896): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: 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
09:09:29 (11896): C:/Windows/system32/cmd.exe exited; CPU time 2706.625000
09:09:29 (11896): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 57457018 bytes.
Dumping objects ->
{1839} normal block at 0x000002098C9A4E30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1828} normal block at 0x000002098C9A5060, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1817} normal block at 0x000002098C9A4FF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1806} normal block at 0x000002098C9A4F80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1795} normal block at 0x000002098C9A4D50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1764} normal block at 0x000002098C98FC80, 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) : {1751} normal block at 0x000002098C9A6360, 8 bytes long.
Data: < > 00 00 D6 8C 09 02 00 00
{309} normal block at 0x000002098C9A5F00, 8 bytes long.
Data: < n > F0 6E 9A 8C 09 02 00 00
{300} normal block at 0x000002098C997A90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000002098C9A6270, 16 bytes long.
Data: < m > F8 6D 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002098C9A6770, 16 bytes long.
Data: < m > D0 6D 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002098C9A0940, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000002098C9A64A0, 16 bytes long.
Data: < m > A8 6D 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002098C9A6720, 16 bytes long.
Data: < m > 80 6D 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002098C9A6450, 16 bytes long.
Data: <Xm > 58 6D 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002098C9A6400, 16 bytes long.
Data: <0m > 30 6D 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002098C9A4C00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000002098C9A5B90, 16 bytes long.
Data: <( > 28 A5 99 8C 09 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002098C9A00A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000002098C9A66D0, 16 bytes long.
Data: < > 00 A5 99 8C 09 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002098C9A5B40, 16 bytes long.
Data: < > D8 A4 99 8C 09 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002098C9A5D20, 16 bytes long.
Data: < > B0 A4 99 8C 09 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002098C9A64F0, 16 bytes long.
Data: < > 88 A4 99 8C 09 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002098C9A5DC0, 16 bytes long.
Data: <` > 60 A4 99 8C 09 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002098C9A5C30, 16 bytes long.
Data: <8 > 38 A4 99 8C 09 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002098C9A03A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000002098C9A6040, 16 bytes long.
Data: < > 10 A4 99 8C 09 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002098C99A410, 320 bytes long.
Data: <@` > 40 60 9A 8C 09 02 00 00 A0 03 9A 8C 09 02 00 00
{279} normal block at 0x000002098C9A6630, 16 bytes long.
Data: < m > 10 6D 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002098C9A5EB0, 16 bytes long.
Data: < l > E8 6C 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002098C9A0A00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000002098C9A63B0, 16 bytes long.
Data: < l > C0 6C 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002098C9A0EE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000002098C9A5AA0, 16 bytes long.
Data: < l > 08 6C 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002098C9A6680, 16 bytes long.
Data: < k > E0 6B 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002098C9A5960, 16 bytes long.
Data: < k > B8 6B 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002098C9A61D0, 16 bytes long.
Data: < k > 90 6B 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002098C9A6180, 16 bytes long.
Data: <hk > 68 6B 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002098C9A65E0, 16 bytes long.
Data: <@k > 40 6B 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002098C9A6220, 16 bytes long.
Data: < M > C0 4D 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002098C9A4DC0, 40 bytes long.
Data: < b > 20 62 9A 8C 09 02 00 00 80 FC 98 8C 09 02 00 00
{265} normal block at 0x000002098C9A68B0, 16 bytes long.
Data: < k > 20 6B 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002098C9A5FF0, 16 bytes long.
Data: < j > F8 6A 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002098C9A0520, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000002098C9A5A50, 16 bytes long.
Data: < j > D0 6A 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002098C9A6AD0, 992 bytes long.
Data: <PZ > 50 5A 9A 8C 09 02 00 00 20 05 9A 8C 09 02 00 00
{97} normal block at 0x000002098C9A0220, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000002098C99E810, 16 bytes long.
Data: < O > 10 4F 9A 8C 09 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002098C9A4F10, 40 bytes long.
Data: < > 10 E8 99 8C 09 02 00 00 20 02 9A 8C 09 02 00 00
{74} normal block at 0x000002098C99EAE0, 16 bytes long.
Data: < > 80 EA 0C 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002098C99E720, 16 bytes long.
Data: <@ > 40 E9 0C 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002098C99F0D0, 16 bytes long.
Data: < W > F8 57 09 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002098C99EEA0, 16 bytes long.
Data: < W > D8 57 09 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002098C99E8B0, 16 bytes long.
Data: <P > 50 04 09 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002098C99E7C0, 16 bytes long.
Data: <0 > 30 04 09 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002098C99EE50, 16 bytes long.
Data: < > E0 02 09 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002098C99EE00, 16 bytes long.
Data: < > 10 04 09 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002098C99F440, 16 bytes long.
Data: <p > 70 04 09 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002098C99E9A0, 16 bytes long.
Data: < > 18 C0 07 9A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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