Task 38686781
| Name | test_981-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4125_0 |
| Workunit | 31628194 |
| Created | 28 Oct 2026, 4:21:13 UTC |
| Sent | 28 Oct 2026, 4:21:16 UTC |
| Report deadline | 2 Nov 2026, 4:21:16 UTC |
| Received | 28 Oct 2026, 5:22:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610900 |
| Run time | 1 hours 0 min 5 sec |
| CPU time | 51 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 737.48 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
00:22:49 (30992): wrapper (7.9.26016): starting
00:22:49 (30992): 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
00:22:50 (30992): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:22:50 (30992): 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
01:22:09 (30992): C:/Windows/system32/cmd.exe exited; CPU time 3085.734375
01:22:09 (30992): 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: 85233651 bytes.
Dumping objects ->
{3835500} normal block at 0x00000234A5DD4920, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835489} normal block at 0x00000234A5DD48B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835478} normal block at 0x00000234A5DD4840, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835467} normal block at 0x00000234A5DD47D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x00000234A5DD46F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835425} normal block at 0x00000234A7B998A0, 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) : {3835412} normal block at 0x00000234A5DCE7E0, 8 bytes long.
Data: < .¦4 > 00 00 2E A6 34 02 00 00
{3833959} normal block at 0x00000234A5DCE740, 8 bytes long.
Data: <°ßª§4 > B0 DF AA A7 34 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000234A5DD0EE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000234A5DC5DC0, 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 0x00000234A5DD55D0, 16 bytes long.
Data: <(gݥ4 > 28 67 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000234A5DD6160, 16 bytes long.
Data: < gݥ4 > 00 67 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000234A5DD0110, 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 0x00000234A5DD5B20, 16 bytes long.
Data: <ØfÝ¥4 > D8 66 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000234A5DD6070, 16 bytes long.
Data: <°fÝ¥4 > B0 66 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000234A5DD62A0, 16 bytes long.
Data: < fݥ4 > 88 66 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000234A5DD5AD0, 16 bytes long.
Data: <`fݥ4 > 60 66 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000234A5DD4C30, 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 0x00000234A5DD5EE0, 16 bytes long.
Data: < ܥ4 > 18 8F DC A5 34 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000234A5DCFBD0, 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 0x00000234A5DD6020, 16 bytes long.
Data: <ðŽÜ¥4 > F0 8E DC A5 34 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000234A5DD5D00, 16 bytes long.
Data: <ÈŽÜ¥4 > C8 8E DC A5 34 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000234A5DD5710, 16 bytes long.
Data: < ŽÜ¥4 > A0 8E DC A5 34 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000234A5DD5530, 16 bytes long.
Data: <xŽÜ¥4 > 78 8E DC A5 34 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000234A5DD57B0, 16 bytes long.
Data: <PŽÜ¥4 > 50 8E DC A5 34 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000234A5DD54E0, 16 bytes long.
Data: <(ŽÜ¥4 > 28 8E DC A5 34 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000234A5DD0170, 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 0x00000234A5DD5760, 16 bytes long.
Data: < ŽÜ¥4 > 00 8E DC A5 34 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000234A5DC8E00, 320 bytes long.
Data: <`Wݥ4 p ݥ4 > 60 57 DD A5 34 02 00 00 70 01 DD A5 34 02 00 00
{275} normal block at 0x00000234A5DD5490, 16 bytes long.
Data: <@fݥ4 > 40 66 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000234A5DD62F0, 16 bytes long.
Data: < fݥ4 > 18 66 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000234A5DD0050, 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 0x00000234A5DD5440, 16 bytes long.
Data: <ðeÝ¥4 > F0 65 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000234A5DD0350, 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 0x00000234A5DD59E0, 16 bytes long.
Data: <8eݥ4 > 38 65 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000234A5DD58F0, 16 bytes long.
Data: < eݥ4 > 10 65 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000234A5DD6200, 16 bytes long.
Data: <èdÝ¥4 > E8 64 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000234A5DD6390, 16 bytes long.
Data: <ÀdÝ¥4 > C0 64 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000234A5DD5A30, 16 bytes long.
Data: < dݥ4 > 98 64 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000234A5DD6110, 16 bytes long.
Data: <pdݥ4 > 70 64 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000234A5DD5E90, 16 bytes long.
Data: <pJÝ¥4 > 70 4A DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000234A5DD4A70, 40 bytes long.
Data: < ^Ý¥4   ¹§4 > 90 5E DD A5 34 02 00 00 A0 98 B9 A7 34 02 00 00
{261} normal block at 0x00000234A5DD5C60, 16 bytes long.
Data: <Pdݥ4 > 50 64 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000234A5DD5D50, 16 bytes long.
Data: <(dݥ4 > 28 64 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000234A5DD0590, 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 0x00000234A5DD5850, 16 bytes long.
Data: < dݥ4 > 00 64 DD A5 34 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000234A5DD6400, 992 bytes long.
Data: <PXݥ4 ݥ4 > 50 58 DD A5 34 02 00 00 90 05 DD A5 34 02 00 00
{93} normal block at 0x00000234A5DCFCF0, 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 0x00000234A5DCEBF0, 16 bytes long.
Data: <PãÛ¥4 > 50 E3 DB A5 34 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000234A5DBE350, 40 bytes long.
Data: <ðëÜ¥4 ðüÜ¥4 > F0 EB DC A5 34 02 00 00 F0 FC DC A5 34 02 00 00
{70} normal block at 0x00000234A5DCE8D0, 16 bytes long.
Data: < êËe÷ > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000234A5DCF640, 16 bytes long.
Data: <@éËe÷ > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000234A5DCEAB0, 16 bytes long.
Data: <øWÈe÷ > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000234A5DCEA10, 16 bytes long.
Data: <ØWÈe÷ > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000234A5DCEA60, 16 bytes long.
Data: <P Èe÷ > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000234A5DCEF60, 16 bytes long.
Data: <0 Èe÷ > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000234A5DCF1E0, 16 bytes long.
Data: <à Èe÷ > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000234A5DCEF10, 16 bytes long.
Data: < Èe÷ > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000234A5DCF5F0, 16 bytes long.
Data: <p Èe÷ > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000234A5DCF230, 16 bytes long.
Data: < ÀÆe÷ > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra