Task 38659284
| Name | test_1351-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND4425_0 |
| Workunit | 31602835 |
| Created | 24 Oct 2026, 13:21:39 UTC |
| Sent | 24 Oct 2026, 15:05:58 UTC |
| Report deadline | 29 Oct 2026, 15:05:58 UTC |
| Received | 24 Oct 2026, 15:53:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 624957 |
| Run time | 47 min 31 sec |
| CPU time | 45 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 702.20 MB |
| Peak swap size | 6.84 GB |
| Peak disk usage | 3.72 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:07:41 (23804): wrapper (7.9.26016): starting
10:07:41 (23804): 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
10:07:43 (23804): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:07:43 (23804): 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\17\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\17\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
10:53:41 (23804): C:/Windows/system32/cmd.exe exited; CPU time 2719.515625
10:53:41 (23804): 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: 51805679 bytes.
Dumping objects ->
{3835204} normal block at 0x0000023E9F4745F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x0000023E9F446F20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x0000023E9F446D60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835171} normal block at 0x0000023E9F446C80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835160} normal block at 0x0000023E9F446970, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835129} normal block at 0x0000023EA1108A10, 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) : {3835116} normal block at 0x0000023E9F43EE10, 8 bytes long.
Data: < þ > > 00 00 FE A0 3E 02 00 00
{3833967} normal block at 0x0000023E9F43F0E0, 8 bytes long.
Data: <pe ¡> > 70 65 16 A1 3E 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000023E9F441290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000023E9F436B60, 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 0x0000023E9F4478A0, 16 bytes long.
Data: < ƒDŸ> > 18 83 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000023E9F447940, 16 bytes long.
Data: <ð‚DŸ> > F0 82 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000023E9F43FAC0, 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 0x0000023E9F4477B0, 16 bytes long.
Data: <È‚DŸ> > C8 82 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023E9F447B70, 16 bytes long.
Data: < ‚DŸ> > A0 82 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023E9F447F80, 16 bytes long.
Data: <x‚DŸ> > 78 82 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023E9F447DA0, 16 bytes long.
Data: <P‚DŸ> > 50 82 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023E9F4469E0, 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 0x0000023E9F4479E0, 16 bytes long.
Data: <8çCŸ> > 38 E7 43 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023E9F4402A0, 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 0x0000023E9F447030, 16 bytes long.
Data: < çCŸ> > 10 E7 43 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023E9F4473F0, 16 bytes long.
Data: <èæCŸ> > E8 E6 43 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023E9F447F30, 16 bytes long.
Data: <ÀæCŸ> > C0 E6 43 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023E9F447850, 16 bytes long.
Data: < æCŸ> > 98 E6 43 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023E9F447260, 16 bytes long.
Data: <pæCŸ> > 70 E6 43 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023E9F447DF0, 16 bytes long.
Data: <HæCŸ> > 48 E6 43 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023E9F440720, 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 0x0000023E9F447710, 16 bytes long.
Data: < æCŸ> > 20 E6 43 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023E9F43E620, 320 bytes long.
Data: < wDŸ> DŸ> > 10 77 44 9F 3E 02 00 00 20 07 44 9F 3E 02 00 00
{279} normal block at 0x0000023E9F4473A0, 16 bytes long.
Data: <0‚DŸ> > 30 82 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023E9F4476C0, 16 bytes long.
Data: < ‚DŸ> > 08 82 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023E9F440660, 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 0x0000023E9F447670, 16 bytes long.
Data: <à DŸ> > E0 81 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023E9F43F880, 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 0x0000023E9F447E90, 16 bytes long.
Data: <( DŸ> > 28 81 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023E9F447EE0, 16 bytes long.
Data: < DŸ> > 00 81 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023E9F447C10, 16 bytes long.
Data: <Ø DŸ> > D8 80 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023E9F447BC0, 16 bytes long.
Data: <° DŸ> > B0 80 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023E9F447620, 16 bytes long.
Data: < DŸ> > 88 80 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023E9F4475D0, 16 bytes long.
Data: <` DŸ> > 60 80 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023E9F447120, 16 bytes long.
Data: < iDŸ> > 00 69 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023E9F446900, 40 bytes long.
Data: < qDŸ> Š ¡> > 20 71 44 9F 3E 02 00 00 10 8A 10 A1 3E 02 00 00
{265} normal block at 0x0000023E9F447800, 16 bytes long.
Data: <@ DŸ> > 40 80 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023E9F447B20, 16 bytes long.
Data: < DŸ> > 18 80 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023E9F43FCA0, 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 0x0000023E9F447D00, 16 bytes long.
Data: <ð DŸ> > F0 7F 44 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023E9F447FF0, 992 bytes long.
Data: < }DŸ>  üCŸ> > 00 7D 44 9F 3E 02 00 00 A0 FC 43 9F 3E 02 00 00
{97} normal block at 0x0000023E9F440300, 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 0x0000023E9F43F770, 16 bytes long.
Data: <`ÂBŸ> > 60 C2 42 9F 3E 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000023E9F42C260, 40 bytes long.
Data: <p÷CŸ> DŸ> > 70 F7 43 9F 3E 02 00 00 00 03 44 9F 3E 02 00 00
{74} normal block at 0x0000023E9F43EDC0, 16 bytes long.
Data: < ê/«ö > 80 EA 2F AB F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000023E9F43E870, 16 bytes long.
Data: <@é/«ö > 40 E9 2F AB F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023E9F43F7C0, 16 bytes long.
Data: <øW,«ö > F8 57 2C AB F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023E9F43ED70, 16 bytes long.
Data: <ØW,«ö > D8 57 2C AB F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023E9F43EC80, 16 bytes long.
Data: <P ,«ö > 50 04 2C AB F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023E9F43F2C0, 16 bytes long.
Data: <0 ,«ö > 30 04 2C AB F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023E9F43F360, 16 bytes long.
Data: <à ,«ö > E0 02 2C AB F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023E9F43EC30, 16 bytes long.
Data: < ,«ö > 10 04 2C AB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023E9F43F720, 16 bytes long.
Data: <p ,«ö > 70 04 2C AB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023E9F43EBE0, 16 bytes long.
Data: < À*«ö > 18 C0 2A AB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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