Task 38681112
| Name | test_869-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4179_0 |
| Workunit | 31622796 |
| Created | 27 Oct 2026, 2:41:12 UTC |
| Sent | 27 Oct 2026, 2:41:19 UTC |
| Report deadline | 1 Nov 2026, 2:41:19 UTC |
| Received | 27 Oct 2026, 8:15:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654147 |
| Run time | 34 min 41 sec |
| CPU time | 32 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,069.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.16 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:39:01 (17812): wrapper (7.9.26016): starting
08:39:01 (17812): 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
08:39:03 (17812): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:39:03 (17812): 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.
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
09:12:22 (17812): C:/Windows/system32/cmd.exe exited; CPU time 1958.250000
09:12:22 (17812): 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: 32873299 bytes.
Dumping objects ->
{3835197} normal block at 0x0000019369D1CEA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x0000019369D1C110, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x0000019369CC4B00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835164} normal block at 0x0000019369CC4A90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835153} normal block at 0x0000019369CC4550, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835122} normal block at 0x000001936B9E8700, 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) : {3835109} normal block at 0x0000019369CBFCF0, 8 bytes long.
Data: < j“ > 00 00 14 6A 93 01 00 00
{3833959} normal block at 0x0000019369CC0150, 8 bytes long.
Data: < d¤k“ > 20 64 A4 6B 93 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000019369CBF000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019369CB5FD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000019369CC5230, 16 bytes long.
Data: <ØcÌi“ > D8 63 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019369CC5960, 16 bytes long.
Data: <°cÌi“ > B0 63 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019369CC1080, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000019369CC5280, 16 bytes long.
Data: < cÌi“ > 88 63 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019369CC5AA0, 16 bytes long.
Data: <`cÌi“ > 60 63 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019369CC5D70, 16 bytes long.
Data: <8cÌi“ > 38 63 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019369CC5780, 16 bytes long.
Data: < cÌi“ > 10 63 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019369CC4940, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000019369CC5E60, 16 bytes long.
Data: < Ëi“ > 88 8D CB 69 93 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019369CC07E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000019369CC5640, 16 bytes long.
Data: <` Ëi“ > 60 8D CB 69 93 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019369CC5500, 16 bytes long.
Data: <8 Ëi“ > 38 8D CB 69 93 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019369CC5460, 16 bytes long.
Data: < Ëi“ > 10 8D CB 69 93 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019369CC5730, 16 bytes long.
Data: <èŒËi“ > E8 8C CB 69 93 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019369CC50F0, 16 bytes long.
Data: <ÀŒËi“ > C0 8C CB 69 93 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019369CC55F0, 16 bytes long.
Data: < ŒËi“ > 98 8C CB 69 93 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019369CC0960, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000019369CC5D20, 16 bytes long.
Data: <pŒËi“ > 70 8C CB 69 93 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019369CB8C70, 320 bytes long.
Data: < ]Ìi“ ` Ìi“ > 20 5D CC 69 93 01 00 00 60 09 CC 69 93 01 00 00
{275} normal block at 0x0000019369CC58C0, 16 bytes long.
Data: <ðbÌi“ > F0 62 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019369CC57D0, 16 bytes long.
Data: <ÈbÌi“ > C8 62 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019369CC0780, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000019369CC56E0, 16 bytes long.
Data: < bÌi“ > A0 62 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019369CC0A80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000019369CC5820, 16 bytes long.
Data: <èaÌi“ > E8 61 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019369CC5DC0, 16 bytes long.
Data: <ÀaÌi“ > C0 61 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019369CC5320, 16 bytes long.
Data: < aÌi“ > 98 61 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019369CC5870, 16 bytes long.
Data: <paÌi“ > 70 61 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019369CC5910, 16 bytes long.
Data: <HaÌi“ > 48 61 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019369CC5140, 16 bytes long.
Data: < aÌi“ > 20 61 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019369CC5B40, 16 bytes long.
Data: <ðGÌi“ > F0 47 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019369CC47F0, 40 bytes long.
Data: <@[Ìi“ ‡žk“ > 40 5B CC 69 93 01 00 00 00 87 9E 6B 93 01 00 00
{261} normal block at 0x0000019369CC5370, 16 bytes long.
Data: < aÌi“ > 00 61 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019369CC55A0, 16 bytes long.
Data: <Ø`Ìi“ > D8 60 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019369CC0720, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000019369CC5690, 16 bytes long.
Data: <°`Ìi“ > B0 60 CC 69 93 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019369CC60B0, 992 bytes long.
Data: < VÌi“ Ìi“ > 90 56 CC 69 93 01 00 00 20 07 CC 69 93 01 00 00
{93} normal block at 0x0000019369CC0B40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000019369CBF610, 16 bytes long.
Data: <àäÊi“ > E0 E4 CA 69 93 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000019369CAE4E0, 40 bytes long.
Data: < öËi“ @ Ìi“ > 10 F6 CB 69 93 01 00 00 40 0B CC 69 93 01 00 00
{70} normal block at 0x0000019369CBF5C0, 16 bytes long.
Data: < êÆb÷ > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019369CBFD90, 16 bytes long.
Data: <@éÆb÷ > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019369CBFCA0, 16 bytes long.
Data: <øWÃb÷ > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019369CBF4D0, 16 bytes long.
Data: <ØWÃb÷ > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019369CBF980, 16 bytes long.
Data: <P Ãb÷ > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019369CBFD40, 16 bytes long.
Data: <0 Ãb÷ > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019369CC0380, 16 bytes long.
Data: <à Ãb÷ > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019369CBFAC0, 16 bytes long.
Data: < Ãb÷ > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019369CBF930, 16 bytes long.
Data: <p Ãb÷ > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019369CC0420, 16 bytes long.
Data: < ÀÁb÷ > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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