Task 38686570
| Name | test_375-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND8953_0 |
| Workunit | 31628000 |
| Created | 28 Oct 2026, 3:15:47 UTC |
| Sent | 28 Oct 2026, 3:15:50 UTC |
| Report deadline | 2 Nov 2026, 3:15:50 UTC |
| Received | 28 Oct 2026, 4:18:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644440 |
| Run time | 59 min 32 sec |
| CPU time | 59 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,090.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.28 MB |
| Peak swap size | 12.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:17:44 (76628): wrapper (7.9.26016): starting
23:17:44 (76628): 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
23:17:46 (76628): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:17:46 (76628): 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\32\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\32\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
00:18:00 (76628): C:/Windows/system32/cmd.exe exited; CPU time 3572.203125
00:18:00 (76628): 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: 102605157 bytes.
Dumping objects ->
{3835512} normal block at 0x00000216AE26C740, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x00000216AC4A9310, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x00000216AC4A92A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835479} normal block at 0x00000216AC4A95B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x00000216AC4A9230, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835437} normal block at 0x00000216AE279920, 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) : {3835424} normal block at 0x00000216AC4A0A50, 8 bytes long.
Data: < §¬ > 00 00 A7 AC 16 02 00 00
{3833965} normal block at 0x00000216AC4A1090, 8 bytes long.
Data: <`ÖW¬ > 60 D6 57 AC 16 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000216AC498AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000216AC498FA0, 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 0x00000216AC4A9DA0, 16 bytes long.
Data: <Ø«J¬ > D8 AB 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000216AC4AA110, 16 bytes long.
Data: <°«J¬ > B0 AB 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000216AC4A2F20, 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 0x00000216AC4A9DF0, 16 bytes long.
Data: < «J¬ > 88 AB 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000216AC4A9D00, 16 bytes long.
Data: <`«J¬ > 60 AB 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000216AC4A9F30, 16 bytes long.
Data: <8«J¬ > 38 AB 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000216AC4A9C10, 16 bytes long.
Data: < «J¬ > 10 AB 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000216AC4A93F0, 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 0x00000216AC4A9CB0, 16 bytes long.
Data: <8 I¬ > 38 05 49 AC 16 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000216AC4A2EC0, 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 0x00000216AC4AA1B0, 16 bytes long.
Data: < I¬ > 10 05 49 AC 16 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000216AC4A9B70, 16 bytes long.
Data: <è I¬ > E8 04 49 AC 16 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000216AC4A9B20, 16 bytes long.
Data: <À I¬ > C0 04 49 AC 16 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000216AC4A9AD0, 16 bytes long.
Data: < I¬ > 98 04 49 AC 16 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000216AC4AA3E0, 16 bytes long.
Data: <p I¬ > 70 04 49 AC 16 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000216AC4A9A80, 16 bytes long.
Data: <H I¬ > 48 04 49 AC 16 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000216AC4A2E00, 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 0x00000216AC4A9990, 16 bytes long.
Data: < I¬ > 20 04 49 AC 16 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000216AC490420, 320 bytes long.
Data: < J¬ .J¬ > 90 99 4A AC 16 02 00 00 00 2E 4A AC 16 02 00 00
{278} normal block at 0x00000216AC4A9A30, 16 bytes long.
Data: <ðªJ¬ > F0 AA 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000216AC4A9940, 16 bytes long.
Data: <ȪJ¬ > C8 AA 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000216AC4A3940, 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 0x00000216AC4AA390, 16 bytes long.
Data: < ªJ¬ > A0 AA 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000216AC4A3280, 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 0x00000216AC4AA7A0, 16 bytes long.
Data: <è©J¬ > E8 A9 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000216AC4AA7F0, 16 bytes long.
Data: <À©J¬ > C0 A9 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000216AC4AA840, 16 bytes long.
Data: < ©J¬ > 98 A9 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000216AC4A9D50, 16 bytes long.
Data: <p©J¬ > 70 A9 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000216AC4AA480, 16 bytes long.
Data: <H©J¬ > 48 A9 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000216AC4AA0C0, 16 bytes long.
Data: < ©J¬ > 20 A9 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000216AC4A9FD0, 16 bytes long.
Data: < “J¬ > 80 93 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000216AC4A9380, 40 bytes long.
Data: <ПJ¬ '® > D0 9F 4A AC 16 02 00 00 20 99 27 AE 16 02 00 00
{264} normal block at 0x00000216AC4A9BC0, 16 bytes long.
Data: < ©J¬ > 00 A9 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000216AC4A9F80, 16 bytes long.
Data: <بJ¬ > D8 A8 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000216AC4A3520, 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 0x00000216AC4AA250, 16 bytes long.
Data: <°¨J¬ > B0 A8 4A AC 16 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000216AC4AA8B0, 992 bytes long.
Data: <P¢J¬ 5J¬ > 50 A2 4A AC 16 02 00 00 20 35 4A AC 16 02 00 00
{96} normal block at 0x00000216AC4A33A0, 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 0x00000216AC4A0D70, 16 bytes long.
Data: < âH¬ > 00 E2 48 AC 16 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000216AC48E200, 40 bytes long.
Data: <p J¬  3J¬ > 70 0D 4A AC 16 02 00 00 A0 33 4A AC 16 02 00 00
{73} normal block at 0x00000216AC4A1310, 16 bytes long.
Data: < êýáö > 80 EA FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000216AC4A0960, 16 bytes long.
Data: <@éýáö > 40 E9 FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000216AC4A0BE0, 16 bytes long.
Data: <øWúáö > F8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000216AC4A0FF0, 16 bytes long.
Data: <ØWúáö > D8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000216AC4A0EB0, 16 bytes long.
Data: <P úáö > 50 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000216AC4A07D0, 16 bytes long.
Data: <0 úáö > 30 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000216AC4A0F00, 16 bytes long.
Data: <à úáö > E0 02 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000216AC4A1450, 16 bytes long.
Data: < úáö > 10 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000216AC4A0CD0, 16 bytes long.
Data: <p úáö > 70 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000216AC4A16D0, 16 bytes long.
Data: < Àøáö > 18 C0 F8 E1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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