Task 38646385
| Name | test_497-GPUGRID_TEST_ATM_1000_20261023-0-1-RND6134_0 |
| Workunit | 31591334 |
| Created | 23 Oct 2026, 16:34:35 UTC |
| Sent | 23 Oct 2026, 17:17:51 UTC |
| Report deadline | 28 Oct 2026, 17:17:51 UTC |
| Received | 23 Oct 2026, 18:17:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 635377 |
| Run time | 59 min 1 sec |
| CPU time | 57 min 41 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 16,492.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.79 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:19:29 (22872): wrapper (7.9.26016): starting
19:19:29 (22872): 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
19:19:31 (22872): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:19:32 (22872): 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\7\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\7\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
20:17:11 (22872): C:/Windows/system32/cmd.exe exited; CPU time 3461.796875
20:17:11 (22872): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 56962429 bytes.
Dumping objects ->
{3835638} normal block at 0x000001E5CBBD04F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835627} normal block at 0x000001E5CBBD05D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835616} normal block at 0x000001E5CBBD0480, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835605} normal block at 0x000001E5CBBCFCA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835594} normal block at 0x000001E5C9EF75B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835563} normal block at 0x000001E5CBC1AFD0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835552} normal block at 0x000001E5C9EEB120, 200 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) : {3835549} normal block at 0x000001E5C9EEE2E0, 8 bytes long.
Data: < 6Êå > 00 00 36 CA E5 01 00 00
{3834745} normal block at 0x000001E5C9EEC330, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x000001E5C9EEDB60, 8 bytes long.
Data: <0ÜíÉå > 30 DC ED C9 E5 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E5C9EF1740, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001E5C9EE6A90, 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 0x000001E5C9EF8050, 16 bytes long.
Data: < ‘ïÉå > 08 91 EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E5C9EF8640, 16 bytes long.
Data: <à ïÉå > E0 90 EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E5C9EF02D0, 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 0x000001E5C9EF8AF0, 16 bytes long.
Data: <¸ ïÉå > B8 90 EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E5C9EF87D0, 16 bytes long.
Data: < ïÉå > 90 90 EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E5C9EF7E20, 16 bytes long.
Data: <h ïÉå > 68 90 EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E5C9EF8780, 16 bytes long.
Data: <@ ïÉå > 40 90 EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E5C9EF77E0, 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 0x000001E5C9EF8C80, 16 bytes long.
Data: <H–îÉå > 48 96 EE C9 E5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E5C9EEFCD0, 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 0x000001E5C9EF81E0, 16 bytes long.
Data: < –îÉå > 20 96 EE C9 E5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E5C9EF8A00, 16 bytes long.
Data: <ø•îÉå > F8 95 EE C9 E5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E5C9EF85F0, 16 bytes long.
Data: <ЕîÉå > D0 95 EE C9 E5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E5C9EF85A0, 16 bytes long.
Data: <¨•îÉå > A8 95 EE C9 E5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E5C9EF89B0, 16 bytes long.
Data: < •îÉå > 80 95 EE C9 E5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E5C9EF8550, 16 bytes long.
Data: <X•îÉå > 58 95 EE C9 E5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E5C9EF0450, 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 0x000001E5C9EF80A0, 16 bytes long.
Data: <0•îÉå > 30 95 EE C9 E5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E5C9EE9530, 320 bytes long.
Data: <  ïÉå P ïÉå > A0 80 EF C9 E5 01 00 00 50 04 EF C9 E5 01 00 00
{279} normal block at 0x000001E5C9EF8410, 16 bytes long.
Data: < ïÉå > 20 90 EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E5C9EF82D0, 16 bytes long.
Data: <øïÉå > F8 8F EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E5C9EEF910, 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 0x000001E5C9EF8D20, 16 bytes long.
Data: <ЏïÉå > D0 8F EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E5C9EEFDF0, 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 0x000001E5C9EF8AA0, 16 bytes long.
Data: < ïÉå > 18 8F EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E5C9EF8960, 16 bytes long.
Data: <ðŽïÉå > F0 8E EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E5C9EF8500, 16 bytes long.
Data: <ÈŽïÉå > C8 8E EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E5C9EF83C0, 16 bytes long.
Data: < ŽïÉå > A0 8E EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E5C9EF8730, 16 bytes long.
Data: <xŽïÉå > 78 8E EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E5C9EF8910, 16 bytes long.
Data: <PŽïÉå > 50 8E EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E5C9EF8BE0, 16 bytes long.
Data: <ÀxïÉå > C0 78 EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E5C9EF78C0, 40 bytes long.
Data: <à‹ïÉå ЯÁËå > E0 8B EF C9 E5 01 00 00 D0 AF C1 CB E5 01 00 00
{265} normal block at 0x000001E5C9EF8870, 16 bytes long.
Data: <0ŽïÉå > 30 8E EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E5C9EF8370, 16 bytes long.
Data: < ŽïÉå > 08 8E EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E5C9EEFC10, 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 0x000001E5C9EF84B0, 16 bytes long.
Data: <àïÉå > E0 8D EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E5C9EF8DE0, 992 bytes long.
Data: <°„ïÉå üîÉå > B0 84 EF C9 E5 01 00 00 10 FC EE C9 E5 01 00 00
{97} normal block at 0x000001E5C9EF04B0, 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 0x000001E5C9EEE6F0, 16 bytes long.
Data: <PxïÉå > 50 78 EF C9 E5 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001E5C9EF7850, 40 bytes long.
Data: <ðæîÉå ° ïÉå > F0 E6 EE C9 E5 01 00 00 B0 04 EF C9 E5 01 00 00
{74} normal block at 0x000001E5C9EEDCF0, 16 bytes long.
Data: < êßo÷ > 80 EA DF 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E5C9EEE560, 16 bytes long.
Data: <@éßo÷ > 40 E9 DF 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E5C9EEDA70, 16 bytes long.
Data: <øWÜo÷ > F8 57 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E5C9EEDF70, 16 bytes long.
Data: <ØWÜo÷ > D8 57 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E5C9EEDC50, 16 bytes long.
Data: <P Üo÷ > 50 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E5C9EEDC00, 16 bytes long.
Data: <0 Üo÷ > 30 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E5C9EEE0B0, 16 bytes long.
Data: <à Üo÷ > E0 02 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E5C9EED7F0, 16 bytes long.
Data: < Üo÷ > 10 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E5C9EEDE30, 16 bytes long.
Data: <p Üo÷ > 70 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E5C9EED8E0, 16 bytes long.
Data: < ÀÚo÷ > 18 C0 DA 6F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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