Task 38672813
| Name | test_946-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND4737_1 |
| Workunit | 31614498 |
| Created | 26 Oct 2026, 0:33:20 UTC |
| Sent | 26 Oct 2026, 0:33:25 UTC |
| Report deadline | 31 Oct 2026, 0:33:25 UTC |
| Received | 26 Oct 2026, 1:31:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642945 |
| Run time | 38 min 25 sec |
| CPU time | 38 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.32 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:38:03 (31096): wrapper (7.9.26016): starting
09:38:03 (31096): 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
09:38:04 (31096): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:38:04 (31096): 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\9\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\9\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835275} normal block at 0x000001D71ED1E920, 8 bytes long.
Data: < > 00 00 1F 1F D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x000001D71ED0DDA0, 1080 bytes long.
Data: <p7 4 > 70 37 00 00 CD CD CD CD 34 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D71ED22480, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:15:48 (33356): wrapper (7.9.26016): starting
10:15:48 (33356): 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\9\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
10:30:16 (33356): C:/Windows/system32/cmd.exe exited; CPU time 803.593750
10:30:16 (33356): called boinc_finish(0)
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: 22144588 bytes.
Dumping objects ->
{1600} normal block at 0x000002338AED45D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1589} normal block at 0x000002338AED4800, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1578} normal block at 0x000002338AED43A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1567} normal block at 0x000002338AED4560, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1556} normal block at 0x000002338AED4790, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1525} normal block at 0x000002338AEC97C0, 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) : {1512} normal block at 0x000002338AED6B10, 8 bytes long.
Data: < 3 > 00 00 EA 8A 33 02 00 00
{310} normal block at 0x000002338AED67A0, 8 bytes long.
Data: <0q 3 > 30 71 ED 8A 33 02 00 00
{301} normal block at 0x000002338AEC7280, 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 0x000002338AED6160, 16 bytes long.
Data: <8p 3 > 38 70 ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002338AED6390, 16 bytes long.
Data: < p 3 > 10 70 ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002338AED02B0, 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 0x000002338AED6340, 16 bytes long.
Data: < o 3 > E8 6F ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002338AED64D0, 16 bytes long.
Data: < o 3 > C0 6F ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002338AED5F80, 16 bytes long.
Data: < o 3 > 98 6F ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002338AED6CA0, 16 bytes long.
Data: <po 3 > 70 6F ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002338AED4720, 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 0x000002338AED62A0, 16 bytes long.
Data: <h 3 > 68 EC EB 8A 33 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002338AECFB90, 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 0x000002338AED6250, 16 bytes long.
Data: <@ 3 > 40 EC EB 8A 33 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002338AED6020, 16 bytes long.
Data: < 3 > 18 EC EB 8A 33 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002338AED6660, 16 bytes long.
Data: < 3 > F0 EB EB 8A 33 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002338AED66B0, 16 bytes long.
Data: < 3 > C8 EB EB 8A 33 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002338AED5E40, 16 bytes long.
Data: < 3 > A0 EB EB 8A 33 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002338AED6070, 16 bytes long.
Data: <x 3 > 78 EB EB 8A 33 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002338AED00D0, 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 0x000002338AED6B60, 16 bytes long.
Data: <P 3 > 50 EB EB 8A 33 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002338AEBEB50, 320 bytes long.
Data: <`k 3 3 > 60 6B ED 8A 33 02 00 00 D0 00 ED 8A 33 02 00 00
{280} normal block at 0x000002338AED6610, 16 bytes long.
Data: <Po 3 > 50 6F ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002338AED6110, 16 bytes long.
Data: <(o 3 > 28 6F ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002338AED0430, 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 0x000002338AED69D0, 16 bytes long.
Data: < o 3 > 00 6F ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002338AECFD70, 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 0x000002338AED6750, 16 bytes long.
Data: <Hn 3 > 48 6E ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002338AED68E0, 16 bytes long.
Data: < n 3 > 20 6E ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002338AED5F30, 16 bytes long.
Data: < m 3 > F8 6D ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002338AED6AC0, 16 bytes long.
Data: < m 3 > D0 6D ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002338AED65C0, 16 bytes long.
Data: < m 3 > A8 6D ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002338AED60C0, 16 bytes long.
Data: < m 3 > 80 6D ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002338AED6A20, 16 bytes long.
Data: < F 3 > B0 46 ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002338AED46B0, 40 bytes long.
Data: < j 3 3 > 20 6A ED 8A 33 02 00 00 C0 97 EC 8A 33 02 00 00
{266} normal block at 0x000002338AED6430, 16 bytes long.
Data: <`m 3 > 60 6D ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002338AED6700, 16 bytes long.
Data: <8m 3 > 38 6D ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002338AED01F0, 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 0x000002338AED5EE0, 16 bytes long.
Data: < m 3 > 10 6D ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002338AED6D10, 992 bytes long.
Data: < ^ 3 3 > E0 5E ED 8A 33 02 00 00 F0 01 ED 8A 33 02 00 00
{98} normal block at 0x000002338AED0070, 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 0x000002338AECDEC0, 16 bytes long.
Data: < D 3 > 80 44 ED 8A 33 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000002338AED4480, 40 bytes long.
Data: < 3 p 3 > C0 DE EC 8A 33 02 00 00 70 00 ED 8A 33 02 00 00
{73} normal block at 0x000002338AECE5F0, 16 bytes long.
Data: < _ > 80 EA 5F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002338AECDB50, 16 bytes long.
Data: <@ _ > 40 E9 5F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002338AECDB00, 16 bytes long.
Data: < W\ > F8 57 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002338AECE0F0, 16 bytes long.
Data: < W\ > D8 57 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002338AECE230, 16 bytes long.
Data: <P \ > 50 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002338AECE0A0, 16 bytes long.
Data: <0 \ > 30 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002338AECDE70, 16 bytes long.
Data: < \ > E0 02 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002338AECE5A0, 16 bytes long.
Data: < \ > 10 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002338AECDCE0, 16 bytes long.
Data: <p \ > 70 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002338AECE140, 16 bytes long.
Data: < Z > 18 C0 5A 0F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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