Task 38685152
| Name | test_183-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND5057_0 |
| Workunit | 31626634 |
| Created | 27 Oct 2026, 19:41:47 UTC |
| Sent | 27 Oct 2026, 19:41:52 UTC |
| Report deadline | 1 Nov 2026, 19:41:52 UTC |
| Received | 27 Oct 2026, 20:25:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 585156 |
| Run time | 38 min 8 sec |
| CPU time | 37 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 43,943.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.13 MB |
| Peak swap size | 7.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:47:04 (29920): wrapper (7.9.26016): starting
20:47:04 (29920): 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
20:47:05 (29920): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:47:05 (29920): 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\2\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\2\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
21:24:19 (29920): C:/Windows/system32/cmd.exe exited; CPU time 2231.734375
21:24:19 (29920): 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: 38484421 bytes.
Dumping objects ->
{3835244} normal block at 0x000001D9A8E07580, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000001D9A8E07DD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000001D9A8E07820, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835211} normal block at 0x000001D9A8E07430, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835200} normal block at 0x000001D9A8E077B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835169} normal block at 0x000001D9AAAB4DD0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x000001D9AAACDC60, 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) : {3835155} normal block at 0x000001D9A8DD85F0, 8 bytes long.
Data: < ƒªÙ > 00 00 83 AA D9 01 00 00
{3834549} normal block at 0x000001D9AAACD790, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000001D9A8DD80A0, 8 bytes long.
Data: <p&±ªÙ > 70 26 B1 AA D9 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001D9A8DE2ED0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D9A8DCE090, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001D9A8DE3D80, 16 bytes long.
Data: <ÈOÞ¨Ù > C8 4F DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D9A8DE3D30, 16 bytes long.
Data: < OÞ¨Ù > A0 4F DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D9A8DDD560, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001D9A8DE44B0, 16 bytes long.
Data: <xOި٠> 78 4F DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D9A8DE4280, 16 bytes long.
Data: <POި٠> 50 4F DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D9A8DE4C30, 16 bytes long.
Data: <(Oި٠> 28 4F DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D9A8DE3CE0, 16 bytes long.
Data: < Oި٠> 00 4F DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D9A8DDE730, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001D9A8DE4BE0, 16 bytes long.
Data: <Øaܨ٠> D8 61 DC A8 D9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D9A8DDD020, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001D9A8DE4A50, 16 bytes long.
Data: <°aܨ٠> B0 61 DC A8 D9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D9A8DE4A00, 16 bytes long.
Data: < aܨ٠> 88 61 DC A8 D9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D9A8DE4410, 16 bytes long.
Data: <`aܨ٠> 60 61 DC A8 D9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D9A8DE4000, 16 bytes long.
Data: <8aܨ٠> 38 61 DC A8 D9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D9A8DE48C0, 16 bytes long.
Data: < aܨ٠> 10 61 DC A8 D9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D9A8DE4690, 16 bytes long.
Data: <è`ܨ٠> E8 60 DC A8 D9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D9A8DDCC00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001D9A8DE4AA0, 16 bytes long.
Data: <À`ܨ٠> C0 60 DC A8 D9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D9A8DC60C0, 320 bytes long.
Data: < JÞ¨Ù Ìݨ٠> A0 4A DE A8 D9 01 00 00 00 CC DD A8 D9 01 00 00
{278} normal block at 0x000001D9A8DE3E20, 16 bytes long.
Data: <àNÞ¨Ù > E0 4E DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D9A8DE40A0, 16 bytes long.
Data: <¸NÞ¨Ù > B8 4E DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D9A8DDD140, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001D9A8DE4730, 16 bytes long.
Data: < Nި٠> 90 4E DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D9A8DDD500, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001D9A8DE3EC0, 16 bytes long.
Data: <ØMÞ¨Ù > D8 4D DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D9A8DE49B0, 16 bytes long.
Data: <°MÞ¨Ù > B0 4D DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D9A8DE4320, 16 bytes long.
Data: < Mި٠> 88 4D DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D9A8DE4B90, 16 bytes long.
Data: <`Mި٠> 60 4D DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D9A8DE4640, 16 bytes long.
Data: <8Mި٠> 38 4D DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D9A8DE4460, 16 bytes long.
Data: < Mި٠> 10 4D DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D9A8DE4190, 16 bytes long.
Data: <Àæݨ٠> C0 E6 DD A8 D9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D9A8DDE6C0, 40 bytes long.
Data: < AÞ¨Ù ÐM«ªÙ > 90 41 DE A8 D9 01 00 00 D0 4D AB AA D9 01 00 00
{264} normal block at 0x000001D9A8DE43C0, 16 bytes long.
Data: <ðLÞ¨Ù > F0 4C DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D9A8DE4870, 16 bytes long.
Data: <ÈLÞ¨Ù > C8 4C DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D9A8DDCDE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001D9A8DE45A0, 16 bytes long.
Data: < LÞ¨Ù > A0 4C DE A8 D9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D9A8DE4CA0, 992 bytes long.
Data: < EÞ¨Ù àÍݨ٠> A0 45 DE A8 D9 01 00 00 E0 CD DD A8 D9 01 00 00
{96} normal block at 0x000001D9A8DDC7E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001D9A8DD7C40, 16 bytes long.
Data: < ëݨ٠> 90 EB DD A8 D9 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001D9A8DDEB90, 40 bytes long.
Data: <@|ݨ٠àÇݨ٠> 40 7C DD A8 D9 01 00 00 E0 C7 DD A8 D9 01 00 00
{73} normal block at 0x000001D9A8DD8550, 16 bytes long.
Data: < êënö > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D9A8DD80F0, 16 bytes long.
Data: <@éënö > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D9A8DD8000, 16 bytes long.
Data: <øWènö > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D9A8DD7BA0, 16 bytes long.
Data: <ØWènö > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D9A8DD8190, 16 bytes long.
Data: <P ènö > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D9A8DD78D0, 16 bytes long.
Data: <0 ènö > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D9A8DD82D0, 16 bytes long.
Data: <à ènö > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D9A8DD7920, 16 bytes long.
Data: < ènö > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D9A8DD7DD0, 16 bytes long.
Data: <p ènö > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D9A8DD83C0, 16 bytes long.
Data: < Àænö > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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