Task 38672940
| Name | test_537-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8487_1 |
| Workunit | 31614517 |
| Created | 26 Oct 2026, 0:56:57 UTC |
| Sent | 26 Oct 2026, 0:56:58 UTC |
| Report deadline | 31 Oct 2026, 0:56:58 UTC |
| Received | 26 Oct 2026, 10:40:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630739 |
| Run time | 1 hours 4 min 1 sec |
| CPU time | 59 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.77 MB |
| Peak swap size | 11.39 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:36:25 (39440): wrapper (7.9.26016): starting
22:36:25 (39440): 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
22:36:27 (39440): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:36:27 (39440): 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\28\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\28\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.
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
23:53:20 (39440): C:/Windows/system32/cmd.exe exited; CPU time 4400.312500
23:53:20 (39440): called boinc_finish(0)
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: 97264179 bytes.
Dumping objects ->
{3835284} normal block at 0x0000019CB5C2CEB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835273} normal block at 0x0000019CB3F14A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x0000019CB3F14990, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835251} normal block at 0x0000019CB3F14920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000019CB3F148B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835209} normal block at 0x0000019CB5C774C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x0000019CB5C8F160, 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) : {3835195} normal block at 0x0000019CB3F0F9D0, 8 bytes long.
Data: < =´œ > 00 00 3D B4 9C 01 00 00
{3834571} normal block at 0x0000019CB5C8E660, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000019CB3F0FF70, 8 bytes long.
Data: <p2͵œ > 70 32 CD B5 9C 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019CB3F06C60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019CB3F07210, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000019CB3F15BC0, 16 bytes long.
Data: <(gñ³œ > 28 67 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019CB3F15D50, 16 bytes long.
Data: < gñ³œ > 00 67 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019CB3F109A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000019CB3F156C0, 16 bytes long.
Data: <Øfñ³œ > D8 66 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019CB3F155D0, 16 bytes long.
Data: <°fñ³œ > B0 66 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019CB3F15990, 16 bytes long.
Data: < fñ³œ > 88 66 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019CB3F158F0, 16 bytes long.
Data: <`fñ³œ > 60 66 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019CB3F14AE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000019CB3F162A0, 16 bytes long.
Data: <  ð³œ > 18 A0 F0 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019CB3F114E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000019CB3F15E40, 16 bytes long.
Data: <ðŸð³œ > F0 9F F0 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019CB3F15F80, 16 bytes long.
Data: <ȟ𳜠> C8 9F F0 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019CB3F15B70, 16 bytes long.
Data: < Ÿð³œ > A0 9F F0 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019CB3F15620, 16 bytes long.
Data: <xŸð³œ > 78 9F F0 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019CB3F15D00, 16 bytes long.
Data: <PŸð³œ > 50 9F F0 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019CB3F16390, 16 bytes long.
Data: <(Ÿð³œ > 28 9F F0 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019CB3F11360, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000019CB3F15B20, 16 bytes long.
Data: < Ÿð³œ > 00 9F F0 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019CB3F09F00, 320 bytes long.
Data: < [ñ³œ ` ñ³œ > 20 5B F1 B3 9C 01 00 00 60 13 F1 B3 9C 01 00 00
{277} normal block at 0x0000019CB3F15800, 16 bytes long.
Data: <@fñ³œ > 40 66 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019CB3F15710, 16 bytes long.
Data: < fñ³œ > 18 66 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019CB3F111E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000019CB3F15670, 16 bytes long.
Data: <ðeñ³œ > F0 65 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019CB3F11420, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000019CB3F15940, 16 bytes long.
Data: <8eñ³œ > 38 65 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019CB3F15EE0, 16 bytes long.
Data: < eñ³œ > 10 65 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019CB3F15CB0, 16 bytes long.
Data: <èdñ³œ > E8 64 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019CB3F16200, 16 bytes long.
Data: <Àdñ³œ > C0 64 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019CB3F15440, 16 bytes long.
Data: < dñ³œ > 98 64 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019CB3F16340, 16 bytes long.
Data: <pdñ³œ > 70 64 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019CB3F16070, 16 bytes long.
Data: <pJñ³œ > 70 4A F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019CB3F14A70, 40 bytes long.
Data: <p`ñ³œ Àtǵœ > 70 60 F1 B3 9C 01 00 00 C0 74 C7 B5 9C 01 00 00
{263} normal block at 0x0000019CB3F15C60, 16 bytes long.
Data: <Pdñ³œ > 50 64 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019CB3F15F30, 16 bytes long.
Data: <(dñ³œ > 28 64 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019CB3F11180, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000019CB3F157B0, 16 bytes long.
Data: < dñ³œ > 00 64 F1 B3 9C 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019CB3F16400, 992 bytes long.
Data: <°Wñ³œ ñ³œ > B0 57 F1 B3 9C 01 00 00 80 11 F1 B3 9C 01 00 00
{95} normal block at 0x0000019CB3F10D60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000019CB3F0F980, 16 bytes long.
Data: <àáﳜ > E0 E1 EF B3 9C 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000019CB3EFE1E0, 40 bytes long.
Data: < ù𳜠` ñ³œ > 80 F9 F0 B3 9C 01 00 00 60 0D F1 B3 9C 01 00 00
{72} normal block at 0x0000019CB3F10600, 16 bytes long.
Data: < ê÷¹ö > 80 EA F7 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019CB3F0F750, 16 bytes long.
Data: <@é÷¹ö > 40 E9 F7 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019CB3F105B0, 16 bytes long.
Data: <øWô¹ö > F8 57 F4 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019CB3F10560, 16 bytes long.
Data: <ØWô¹ö > D8 57 F4 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019CB3F10150, 16 bytes long.
Data: <P ô¹ö > 50 04 F4 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019CB3F10510, 16 bytes long.
Data: <0 ô¹ö > 30 04 F4 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019CB3F101F0, 16 bytes long.
Data: <à ô¹ö > E0 02 F4 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019CB3F0FBB0, 16 bytes long.
Data: < ô¹ö > 10 04 F4 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019CB3F0FED0, 16 bytes long.
Data: <p ô¹ö > 70 04 F4 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019CB3F100B0, 16 bytes long.
Data: < Àò¹ö > 18 C0 F2 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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