Task 38685397
| Name | test_185-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9325_0 |
| Workunit | 31626864 |
| Created | 27 Oct 2026, 20:51:11 UTC |
| Sent | 27 Oct 2026, 20:51:18 UTC |
| Report deadline | 1 Nov 2026, 20:51:18 UTC |
| Received | 28 Oct 2026, 18:24:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629206 |
| Run time | 37 min 44 sec |
| CPU time | 37 min 44 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 | 708.51 MB |
| Peak swap size | 5.36 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:52:12 (26160): wrapper (7.9.26016): starting
20:52:12 (26160): 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
20:52:13 (26160): Library/usr/bin/tar.exe exited; CPU time 0.031250
20:52:13 (26160): 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\0\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\0\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) : {3835524} normal block at 0x0000027CB53CF760, 8 bytes long.
Data: < 8 | > 00 00 38 B5 7C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000027CB7105AE0, 1080 bytes long.
Data: <hE > 68 45 00 00 CD CD CD CD 88 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000027CB53D14B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:35:31 (5488): wrapper (7.9.26016): starting
17:35:31 (5488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
17:58:35 (18852): wrapper (7.9.26016): starting
17:58:35 (18852): 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\0\tmp already exists.
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
18:23:45 (18852): C:/Windows/system32/cmd.exe exited; CPU time 1404.984375
18:23:45 (18852): 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: 31809778 bytes.
Dumping objects ->
{3850295} normal block at 0x000002BBBD79C890, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850284} normal block at 0x000002BBBD79D380, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850273} normal block at 0x000002BBBD79CA50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850262} normal block at 0x000002BBBBB64A60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850251} normal block at 0x000002BBBBB64980, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3850220} normal block at 0x000002BBBD7E4D40, 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) : {3850207} normal block at 0x000002BBBBB5EDA0, 8 bytes long.
Data: < ü»» > 00 00 FC BB BB 02 00 00
{3848650} normal block at 0x000002BBBBB5F340, 8 bytes long.
Data: < y‡½» > 20 79 87 BD BB 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002BBBBB60E10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002BBBBB56840, 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 0x000002BBBBB65B90, 16 bytes long.
Data: <Øh¶»» > D8 68 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002BBBBB65690, 16 bytes long.
Data: <°h¶»» > B0 68 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002BBBBB5FAE0, 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 0x000002BBBBB66220, 16 bytes long.
Data: < h¶»» > 88 68 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002BBBBB65CD0, 16 bytes long.
Data: <`h¶»» > 60 68 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002BBBBB65E60, 16 bytes long.
Data: <8h¶»» > 38 68 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002BBBBB65870, 16 bytes long.
Data: < h¶»» > 10 68 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002BBBBB64BB0, 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 0x000002BBBBB66360, 16 bytes long.
Data: < µ´»» > 98 B5 B4 BB BB 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BBBBB601A0, 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 0x000002BBBBB65E10, 16 bytes long.
Data: <pµ´»» > 70 B5 B4 BB BB 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BBBBB65C80, 16 bytes long.
Data: <Hµ´»» > 48 B5 B4 BB BB 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002BBBBB66090, 16 bytes long.
Data: < µ´»» > 20 B5 B4 BB BB 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002BBBBB65FF0, 16 bytes long.
Data: <ø´´»» > F8 B4 B4 BB BB 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002BBBBB65C30, 16 bytes long.
Data: <д´»» > D0 B4 B4 BB BB 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BBBBB65F00, 16 bytes long.
Data: <¨´´»» > A8 B4 B4 BB BB 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BBBBB60140, 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 0x000002BBBBB66450, 16 bytes long.
Data: < ´´»» > 80 B4 B4 BB BB 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BBBBB4B480, 320 bytes long.
Data: <Pd¶»» @ ¶»» > 50 64 B6 BB BB 02 00 00 40 01 B6 BB BB 02 00 00
{279} normal block at 0x000002BBBBB66040, 16 bytes long.
Data: <ðg¶»» > F0 67 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002BBBBB66270, 16 bytes long.
Data: <Èg¶»» > C8 67 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BBBBB5F9C0, 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 0x000002BBBBB65AF0, 16 bytes long.
Data: < g¶»» > A0 67 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BBBBB60680, 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 0x000002BBBBB65AA0, 16 bytes long.
Data: <èf¶»» > E8 66 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BBBBB66400, 16 bytes long.
Data: <Àf¶»» > C0 66 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BBBBB66180, 16 bytes long.
Data: < f¶»» > 98 66 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002BBBBB65DC0, 16 bytes long.
Data: <pf¶»» > 70 66 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BBBBB65640, 16 bytes long.
Data: <Hf¶»» > 48 66 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002BBBBB65A00, 16 bytes long.
Data: < f¶»» > 20 66 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BBBBB65A50, 16 bytes long.
Data: <ÀN¶»» > C0 4E B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BBBBB64EC0, 40 bytes long.
Data: <PZ¶»» @M~½» > 50 5A B6 BB BB 02 00 00 40 4D 7E BD BB 02 00 00
{265} normal block at 0x000002BBBBB66130, 16 bytes long.
Data: < f¶»» > 00 66 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BBBBB65D70, 16 bytes long.
Data: <Øe¶»» > D8 65 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BBBBB5FA80, 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 0x000002BBBBB65960, 16 bytes long.
Data: <°e¶»» > B0 65 B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BBBBB665B0, 992 bytes long.
Data: <`Y¶»» úµ»» > 60 59 B6 BB BB 02 00 00 80 FA B5 BB BB 02 00 00
{97} normal block at 0x000002BBBBB5FD80, 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 0x000002BBBBB5F840, 16 bytes long.
Data: < M¶»» > 00 4D B6 BB BB 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002BBBBB64D00, 40 bytes long.
Data: <@øµ»» ýµ»» > 40 F8 B5 BB BB 02 00 00 80 FD B5 BB BB 02 00 00
{74} normal block at 0x000002BBBBB5F110, 16 bytes long.
Data: < êþÚö > 80 EA FE DA F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002BBBBB5EFD0, 16 bytes long.
Data: <@éþÚö > 40 E9 FE DA F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002BBBBB5EC10, 16 bytes long.
Data: <øWûÚö > F8 57 FB DA F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002BBBBB5ED00, 16 bytes long.
Data: <ØWûÚö > D8 57 FB DA F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002BBBBB5EF80, 16 bytes long.
Data: <P ûÚö > 50 04 FB DA F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002BBBBB5F0C0, 16 bytes long.
Data: <0 ûÚö > 30 04 FB DA F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002BBBBB5EF30, 16 bytes long.
Data: <à ûÚö > E0 02 FB DA F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002BBBBB5ED50, 16 bytes long.
Data: < ûÚö > 10 04 FB DA F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BBBBB5EE90, 16 bytes long.
Data: <p ûÚö > 70 04 FB DA F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002BBBBB5EE40, 16 bytes long.
Data: < ÀùÚö > 18 C0 F9 DA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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