Task 38688578
| Name | test_644-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2666_0 |
| Workunit | 31629916 |
| Created | 28 Oct 2026, 14:53:49 UTC |
| Sent | 28 Oct 2026, 14:53:52 UTC |
| Report deadline | 2 Nov 2026, 14:53:52 UTC |
| Received | 28 Oct 2026, 15:38:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646098 |
| Run time | 43 min 33 sec |
| CPU time | 40 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,607.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.44 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:55:23 (41452): wrapper (7.9.26016): starting
08:55:23 (41452): 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
08:55:25 (41452): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:55:25 (41452): 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\19\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\19\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
09:37:32 (41452): C:/Windows/system32/cmd.exe exited; CPU time 2406.781250
09:37:32 (41452): 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: 59232871 bytes.
Dumping objects ->
{3835483} normal block at 0x000001F7B8F4CA40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835472} normal block at 0x000001F7B71649E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835461} normal block at 0x000001F7B7164900, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835450} normal block at 0x000001F7B7164970, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835439} normal block at 0x000001F7B7164890, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835408} normal block at 0x000001F7B8F96A00, 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) : {3835395} normal block at 0x000001F7B71611C0, 8 bytes long.
Data: < ·÷ > 00 00 13 B7 F7 01 00 00
{3833957} normal block at 0x000001F7B71612B0, 8 bytes long.
Data: <°A ·÷ > B0 41 16 B7 F7 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F7B7156380, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F7B7157DE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001F7B7165430, 16 bytes long.
Data: < g ·÷ > 18 67 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F7B7165B60, 16 bytes long.
Data: <ðf ·÷ > F0 66 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F7B7160010, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001F7B7165610, 16 bytes long.
Data: <Èf ·÷ > C8 66 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F7B7165D40, 16 bytes long.
Data: < f ·÷ > A0 66 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F7B7165F20, 16 bytes long.
Data: <xf ·÷ > 78 66 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F7B7166380, 16 bytes long.
Data: <Pf ·÷ > 50 66 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F7B7164D60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001F7B71662E0, 16 bytes long.
Data: < ¹ ·÷ > 08 B9 14 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F7B715FFB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001F7B7166240, 16 bytes long.
Data: <ภ·÷ > E0 B8 14 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F7B7165B10, 16 bytes long.
Data: <¸¸ ·÷ > B8 B8 14 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F7B71659D0, 16 bytes long.
Data: < ¸ ·÷ > 90 B8 14 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F7B71661F0, 16 bytes long.
Data: <h¸ ·÷ > 68 B8 14 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F7B7166290, 16 bytes long.
Data: <@¸ ·÷ > 40 B8 14 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F7B7165930, 16 bytes long.
Data: < ¸ ·÷ > 18 B8 14 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F7B715FF50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001F7B71661A0, 16 bytes long.
Data: <ð· ·÷ > F0 B7 14 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F7B714B7F0, 320 bytes long.
Data: < a ·÷ Pÿ ·÷ > A0 61 16 B7 F7 01 00 00 50 FF 15 B7 F7 01 00 00
{274} normal block at 0x000001F7B7165D90, 16 bytes long.
Data: <0f ·÷ > 30 66 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F7B7166150, 16 bytes long.
Data: < f ·÷ > 08 66 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F7B7160490, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001F7B7165CF0, 16 bytes long.
Data: <àe ·÷ > E0 65 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F7B715FE30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001F7B7166060, 16 bytes long.
Data: <(e ·÷ > 28 65 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F7B71655C0, 16 bytes long.
Data: < e ·÷ > 00 65 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F7B71660B0, 16 bytes long.
Data: <Ød ·÷ > D8 64 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F7B7165CA0, 16 bytes long.
Data: <°d ·÷ > B0 64 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F7B7165C00, 16 bytes long.
Data: < d ·÷ > 88 64 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F7B7165E30, 16 bytes long.
Data: <`d ·÷ > 60 64 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F7B7165F70, 16 bytes long.
Data: <ÀJ ·÷ > C0 4A 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F7B7164AC0, 40 bytes long.
Data: <p_ ·÷ jù¸÷ > 70 5F 16 B7 F7 01 00 00 00 6A F9 B8 F7 01 00 00
{260} normal block at 0x000001F7B7165C50, 16 bytes long.
Data: <@d ·÷ > 40 64 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F7B7166330, 16 bytes long.
Data: < d ·÷ > 18 64 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F7B7160190, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001F7B7165AC0, 16 bytes long.
Data: <ðc ·÷ > F0 63 16 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F7B71663F0, 992 bytes long.
Data: <ÀZ ·÷ ·÷ > C0 5A 16 B7 F7 01 00 00 90 01 16 B7 F7 01 00 00
{92} normal block at 0x000001F7B715FEF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001F7B7161760, 16 bytes long.
Data: <`é ·÷ > 60 E9 14 B7 F7 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001F7B714E960, 40 bytes long.
Data: <` ·÷ ðþ ·÷ > 60 17 16 B7 F7 01 00 00 F0 FE 15 B7 F7 01 00 00
{69} normal block at 0x000001F7B71609F0, 16 bytes long.
Data: < ê­`ö > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F7B7160BD0, 16 bytes long.
Data: <@é­`ö > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F7B71610D0, 16 bytes long.
Data: <øWª`ö > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F7B71617B0, 16 bytes long.
Data: <ØWª`ö > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F7B71616C0, 16 bytes long.
Data: <P ª`ö > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F7B7161670, 16 bytes long.
Data: <0 ª`ö > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F7B7161080, 16 bytes long.
Data: <à ª`ö > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F7B7160D60, 16 bytes long.
Data: < ª`ö > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F7B71614E0, 16 bytes long.
Data: <p ª`ö > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F7B7161170, 16 bytes long.
Data: < À¨`ö > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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