Task 38668648
| Name | test_331-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND1209_0 |
| Workunit | 31611116 |
| Created | 25 Oct 2026, 12:21:50 UTC |
| Sent | 25 Oct 2026, 12:22:00 UTC |
| Report deadline | 30 Oct 2026, 12:22:00 UTC |
| Received | 25 Oct 2026, 12:47:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631621 |
| Run time | 24 min 31 sec |
| CPU time | 23 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,915.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.68 MB |
| Peak swap size | 11.47 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:23:06 (32168): wrapper (7.9.26016): starting
07:23:06 (32168): 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
07:23:07 (32168): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:23:07 (32168): 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\14\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\14\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
07:47:04 (32168): C:/Windows/system32/cmd.exe exited; CPU time 1407.296875
07:47:04 (32168): 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: 27399681 bytes.
Dumping objects ->
{3835207} normal block at 0x000001FCD3EA9E20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x000001FCD3EA9410, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x000001FCD3EA9790, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835174} normal block at 0x000001FCD3EA93A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x000001FCD3EA9CD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835132} normal block at 0x000001FCD5C5A560, 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) : {3835119} normal block at 0x000001FCD3E7CB40, 8 bytes long.
Data: < áÓü > 00 00 E1 D3 FC 01 00 00
{3833961} normal block at 0x000001FCD3E7C370, 8 bytes long.
Data: <pã»Õü > 70 E3 BB D5 FC 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FCD3E755E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FCD3E7DC50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001FCD3E83430, 16 bytes long.
Data: < ?èÓü > 88 3F E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FCD3E82EE0, 16 bytes long.
Data: <`?èÓü > 60 3F E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FCD3E7E780, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001FCD3E837A0, 16 bytes long.
Data: <8?èÓü > 38 3F E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FCD3E82BC0, 16 bytes long.
Data: < ?èÓü > 10 3F E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FCD3E833E0, 16 bytes long.
Data: <è>èÓü > E8 3E E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FCD3E837F0, 16 bytes long.
Data: <À>èÓü > C0 3E E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FCD3E81520, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001FCD3E83390, 16 bytes long.
Data: < ¸æÓü > 08 B8 E6 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FCD3E7EC00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001FCD3E832F0, 16 bytes long.
Data: <à·æÓü > E0 B7 E6 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FCD3E82D50, 16 bytes long.
Data: <¸·æÓü > B8 B7 E6 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FCD3E82DA0, 16 bytes long.
Data: < ·æÓü > 90 B7 E6 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FCD3E83750, 16 bytes long.
Data: <h·æÓü > 68 B7 E6 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FCD3E82B70, 16 bytes long.
Data: <@·æÓü > 40 B7 E6 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FCD3E83340, 16 bytes long.
Data: < ·æÓü > 18 B7 E6 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FCD3E7E540, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001FCD3E83700, 16 bytes long.
Data: <ð¶æÓü > F0 B6 E6 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FCD3E6B6F0, 320 bytes long.
Data: < 7èÓü @åçÓü > 00 37 E8 D3 FC 01 00 00 40 E5 E7 D3 FC 01 00 00
{276} normal block at 0x000001FCD3E836B0, 16 bytes long.
Data: < >èÓü > A0 3E E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FCD3E82D00, 16 bytes long.
Data: <x>èÓü > 78 3E E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FCD3E7E720, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001FCD3E829E0, 16 bytes long.
Data: <P>èÓü > 50 3E E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FCD3E7E0C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001FCD3E82A80, 16 bytes long.
Data: < =èÓü > 98 3D E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FCD3E82E40, 16 bytes long.
Data: <p=èÓü > 70 3D E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FCD3E82940, 16 bytes long.
Data: <H=èÓü > 48 3D E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FCD3E83660, 16 bytes long.
Data: < =èÓü > 20 3D E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FCD3E82F30, 16 bytes long.
Data: <ø<èÓü > F8 3C E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FCD3E83610, 16 bytes long.
Data: <Ð<èÓü > D0 3C E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FCD3E82DF0, 16 bytes long.
Data: <à èÓü > E0 16 E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FCD3E816E0, 40 bytes long.
Data: <ð-èÓü `¥ÅÕü > F0 2D E8 D3 FC 01 00 00 60 A5 C5 D5 FC 01 00 00
{262} normal block at 0x000001FCD3E82E90, 16 bytes long.
Data: <°<èÓü > B0 3C E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FCD3E828F0, 16 bytes long.
Data: < <èÓü > 88 3C E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FCD3E7E6C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001FCD3E83570, 16 bytes long.
Data: <`<èÓü > 60 3C E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FCD3E83C60, 992 bytes long.
Data: <p5èÓü ÀæçÓü > 70 35 E8 D3 FC 01 00 00 C0 E6 E7 D3 FC 01 00 00
{94} normal block at 0x000001FCD3E7DEE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001FCD3E7C3C0, 16 bytes long.
Data: <@ èÓü > 40 14 E8 D3 FC 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001FCD3E81440, 40 bytes long.
Data: <ÀÃçÓü àÞçÓü > C0 C3 E7 D3 FC 01 00 00 E0 DE E7 D3 FC 01 00 00
{71} normal block at 0x000001FCD3E7C230, 16 bytes long.
Data: < ê ö > 80 EA 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FCD3E7CAF0, 16 bytes long.
Data: <@é ö > 40 E9 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FCD3E7CA00, 16 bytes long.
Data: <øW ö > F8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FCD3E7CA50, 16 bytes long.
Data: <ØW ö > D8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FCD3E7C9B0, 16 bytes long.
Data: <P ö > 50 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FCD3E7C000, 16 bytes long.
Data: <0 ö > 30 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FCD3E7C960, 16 bytes long.
Data: <à ö > E0 02 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FCD3E7CC30, 16 bytes long.
Data: < ö > 10 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FCD3E7C730, 16 bytes long.
Data: <p ö > 70 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FCD3E7CBE0, 16 bytes long.
Data: < À‹ ö > 18 C0 8B 1D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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