Task 38686860
| Name | test_237-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND0196_0 |
| Workunit | 31628269 |
| Created | 28 Oct 2026, 4:44:54 UTC |
| Sent | 28 Oct 2026, 4:44:55 UTC |
| Report deadline | 2 Nov 2026, 4:44:55 UTC |
| Received | 28 Oct 2026, 6:28:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638382 |
| Run time | 33 min 48 sec |
| CPU time | 30 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,380.25 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 697.94 MB |
| Peak swap size | 5.24 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
00:55:14 (16608): wrapper (7.9.26016): starting
00:55:14 (16608): 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
00:55:16 (16608): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:55:16 (16608): 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\3\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\3\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
01:27:46 (16608): C:/Windows/system32/cmd.exe exited; CPU time 1859.625000
01:27:46 (16608): 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: 28679753 bytes.
Dumping objects ->
{3835236} normal block at 0x0000019FCD073230, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x0000019FCD0731C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x0000019FCD072F20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835203} normal block at 0x0000019FCD072EB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x0000019FCD073150, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835161} normal block at 0x0000019FCEC2B270, 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) : {3835148} normal block at 0x0000019FCD06C140, 8 bytes long.
Data: < ÍŸ > 00 00 01 CD 9F 01 00 00
{3833953} normal block at 0x0000019FCD06C0F0, 8 bytes long.
Data: < æ¸ÎŸ > 00 E6 B8 CE 9F 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000019FCD070080, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019FCD05F120, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000019FCD0741E0, 16 bytes long.
Data: <8M ÍŸ > 38 4D 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019FCD073740, 16 bytes long.
Data: < M ÍŸ > 10 4D 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019FCD06E0D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000019FCD073B50, 16 bytes long.
Data: <èL ÍŸ > E8 4C 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019FCD074140, 16 bytes long.
Data: <ÀL ÍŸ > C0 4C 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019FCD073D30, 16 bytes long.
Data: < L ÍŸ > 98 4C 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019FCD074500, 16 bytes long.
Data: <pL ÍŸ > 70 4C 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019FCD073310, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000019FCD073CE0, 16 bytes long.
Data: <8ù ÍŸ > 38 F9 05 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019FCD06E1F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000019FCD073A60, 16 bytes long.
Data: < ù ÍŸ > 10 F9 05 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019FCD073DD0, 16 bytes long.
Data: <èø ÍŸ > E8 F8 05 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019FCD074410, 16 bytes long.
Data: <Àø ÍŸ > C0 F8 05 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019FCD073C90, 16 bytes long.
Data: < ø ÍŸ > 98 F8 05 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019FCD073B00, 16 bytes long.
Data: <pø ÍŸ > 70 F8 05 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019FCD074050, 16 bytes long.
Data: <Hø ÍŸ > 48 F8 05 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019FCD06E070, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000019FCD0738D0, 16 bytes long.
Data: < ø ÍŸ > 20 F8 05 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019FCD05F820, 320 bytes long.
Data: <Ð8 ÍŸ pà ÍŸ > D0 38 07 CD 9F 01 00 00 70 E0 06 CD 9F 01 00 00
{272} normal block at 0x0000019FCD074190, 16 bytes long.
Data: <PL ÍŸ > 50 4C 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019FCD073BF0, 16 bytes long.
Data: <(L ÍŸ > 28 4C 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019FCD06E010, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000019FCD074370, 16 bytes long.
Data: < L ÍŸ > 00 4C 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019FCD06DF50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000019FCD073970, 16 bytes long.
Data: <HK ÍŸ > 48 4B 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019FCD073A10, 16 bytes long.
Data: < K ÍŸ > 20 4B 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019FCD0736A0, 16 bytes long.
Data: <øJ ÍŸ > F8 4A 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019FCD0740F0, 16 bytes long.
Data: <ÐJ ÍŸ > D0 4A 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019FCD0744B0, 16 bytes long.
Data: <¨J ÍŸ > A8 4A 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019FCD0743C0, 16 bytes long.
Data: < J ÍŸ > 80 4A 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019FCD073D80, 16 bytes long.
Data: < / ÍŸ > 90 2F 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019FCD072F90, 40 bytes long.
Data: < = ÍŸ p²ÂΟ > 80 3D 07 CD 9F 01 00 00 70 B2 C2 CE 9F 01 00 00
{258} normal block at 0x0000019FCD074550, 16 bytes long.
Data: <`J ÍŸ > 60 4A 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019FCD073AB0, 16 bytes long.
Data: <8J ÍŸ > 38 4A 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019FCD06D590, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000019FCD073E70, 16 bytes long.
Data: < J ÍŸ > 10 4A 07 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000019FCD074A10, 992 bytes long.
Data: <p> ÍŸ Õ ÍŸ > 70 3E 07 CD 9F 01 00 00 90 D5 06 CD 9F 01 00 00
{90} normal block at 0x0000019FCD06D950, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000019FCD06BC90, 16 bytes long.
Data: <PÖ ÍŸ > 50 D6 05 CD 9F 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000019FCD05D650, 40 bytes long.
Data: < ¼ ÍŸ PÙ ÍŸ > 90 BC 06 CD 9F 01 00 00 50 D9 06 CD 9F 01 00 00
{67} normal block at 0x0000019FCD06B8D0, 16 bytes long.
Data: < êKaö > 80 EA 4B 61 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019FCD06BD30, 16 bytes long.
Data: <@éKaö > 40 E9 4B 61 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019FCD06BB50, 16 bytes long.
Data: <øWHaö > F8 57 48 61 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019FCD06BCE0, 16 bytes long.
Data: <ØWHaö > D8 57 48 61 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019FCD06C050, 16 bytes long.
Data: <P Haö > 50 04 48 61 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019FCD06B740, 16 bytes long.
Data: <0 Haö > 30 04 48 61 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019FCD06C000, 16 bytes long.
Data: <à Haö > E0 02 48 61 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019FCD06BBF0, 16 bytes long.
Data: < Haö > 10 04 48 61 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019FCD06B6F0, 16 bytes long.
Data: <p Haö > 70 04 48 61 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019FCD06C0A0, 16 bytes long.
Data: < ÀFaö > 18 C0 46 61 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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