Task 38679349
| Name | test_137-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1398_0 |
| Workunit | 31621125 |
| Created | 26 Oct 2026, 20:15:35 UTC |
| Sent | 26 Oct 2026, 20:15:42 UTC |
| Report deadline | 31 Oct 2026, 20:15:42 UTC |
| Received | 26 Oct 2026, 20:41:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654804 |
| Run time | 21 min 42 sec |
| CPU time | 21 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,599.15 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.40 MB |
| Peak swap size | 6.95 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:18:43 (9492): wrapper (7.9.26016): starting
16:18:43 (9492): 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
16:18:44 (9492): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:18:44 (9492): 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
16:40:45 (9492): C:/Windows/system32/cmd.exe exited; CPU time 1268.031250
16:40:45 (9492): 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: 23569795 bytes.
Dumping objects ->
{3835256} normal block at 0x000001FCD3FD8570, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x000001FCD3FD8CE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x000001FCD3FD8C70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835223} normal block at 0x000001FCD3FD83B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x000001FCD3FD8260, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835181} normal block at 0x000001FCD5D2E9B0, 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) : {3835168} normal block at 0x000001FCD3FAC940, 8 bytes long.
Data: < ðÓü > 00 00 F0 D3 FC 01 00 00
{3833967} normal block at 0x000001FCD3FAC8A0, 8 bytes long.
Data: < ë¿Õü > 80 EB BF D5 FC 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FCD3FA69C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001FCD3FB1380, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001FCD3FB55A0, 16 bytes long.
Data: <Ø^ûÓü > D8 5E FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FCD3FB5500, 16 bytes long.
Data: <°^ûÓü > B0 5E FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FCD3F7D730, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001FCD3FB4BF0, 16 bytes long.
Data: < ^ûÓü > 88 5E FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FCD3FB4E70, 16 bytes long.
Data: <`^ûÓü > 60 5E FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FCD3FB5190, 16 bytes long.
Data: <8^ûÓü > 38 5E FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FCD3FB5000, 16 bytes long.
Data: < ^ûÓü > 10 5E FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FCD3FAEAF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001FCD3FB4FB0, 16 bytes long.
Data: <ØHûÓü > D8 48 FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FCD3F7E1B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001FCD3FB5960, 16 bytes long.
Data: <°HûÓü > B0 48 FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FCD3FB55F0, 16 bytes long.
Data: < HûÓü > 88 48 FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FCD3FB59B0, 16 bytes long.
Data: <`HûÓü > 60 48 FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FCD3FB50F0, 16 bytes long.
Data: <8HûÓü > 38 48 FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FCD3FB4F60, 16 bytes long.
Data: < HûÓü > 10 48 FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FCD3FB4C40, 16 bytes long.
Data: <èGûÓü > E8 47 FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FCD3F7DFD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001FCD3FB58C0, 16 bytes long.
Data: <ÀGûÓü > C0 47 FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FCD3FB47C0, 320 bytes long.
Data: <ÀXûÓü Ðß÷Óü > C0 58 FB D3 FC 01 00 00 D0 DF F7 D3 FC 01 00 00
{279} normal block at 0x000001FCD3FB4DD0, 16 bytes long.
Data: <ð]ûÓü > F0 5D FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FCD3FB52D0, 16 bytes long.
Data: <È]ûÓü > C8 5D FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FCD3F7D6D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001FCD3FB53C0, 16 bytes long.
Data: < ]ûÓü > A0 5D FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FCD3F7D610, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001FCD3FB5550, 16 bytes long.
Data: <è\ûÓü > E8 5C FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FCD3FB4F10, 16 bytes long.
Data: <À\ûÓü > C0 5C FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FCD3FB5870, 16 bytes long.
Data: < \ûÓü > 98 5C FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FCD3FB5820, 16 bytes long.
Data: <p\ûÓü > 70 5C FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FCD3FB5B40, 16 bytes long.
Data: <H\ûÓü > 48 5C FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FCD3FB5910, 16 bytes long.
Data: < \ûÓü > 20 5C FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FCD3FB5050, 16 bytes long.
Data: <ÀèúÓü > C0 E8 FA D3 FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FCD3FAE8C0, 40 bytes long.
Data: <PPûÓü °éÒÕü > 50 50 FB D3 FC 01 00 00 B0 E9 D2 D5 FC 01 00 00
{265} normal block at 0x000001FCD3FB5280, 16 bytes long.
Data: < \ûÓü > 00 5C FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FCD3FB57D0, 16 bytes long.
Data: <Ø[ûÓü > D8 5B FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FCD3F7E150, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001FCD3FB5230, 16 bytes long.
Data: <°[ûÓü > B0 5B FB D3 FC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FCD3FB5BB0, 992 bytes long.
Data: <0RûÓü Pá÷Óü > 30 52 FB D3 FC 01 00 00 50 E1 F7 D3 FC 01 00 00
{97} normal block at 0x000001FCD3F7DDF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001FCD3FAC850, 16 bytes long.
Data: <°ìúÓü > B0 EC FA D3 FC 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001FCD3FAECB0, 40 bytes long.
Data: <PÈúÓü ðÝ÷Óü > 50 C8 FA D3 FC 01 00 00 F0 DD F7 D3 FC 01 00 00
{74} normal block at 0x000001FCD3FAC760, 16 bytes long.
Data: < ê§U÷ > 80 EA A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FCD3FACFD0, 16 bytes long.
Data: <@é§U÷ > 40 E9 A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FCD3FAC710, 16 bytes long.
Data: <øW¤U÷ > F8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FCD3FACBC0, 16 bytes long.
Data: <ØW¤U÷ > D8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FCD3FAC620, 16 bytes long.
Data: <P ¤U÷ > 50 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FCD3FAC170, 16 bytes long.
Data: <0 ¤U÷ > 30 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FCD3FAC5D0, 16 bytes long.
Data: <à ¤U÷ > E0 02 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FCD3FAC800, 16 bytes long.
Data: < ¤U÷ > 10 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FCD3FAC580, 16 bytes long.
Data: <p ¤U÷ > 70 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FCD3FAC120, 16 bytes long.
Data: < À¢U÷ > 18 C0 A2 55 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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