Task 38687842
| Name | test_846-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2577_0 |
| Workunit | 31629217 |
| Created | 28 Oct 2026, 10:06:46 UTC |
| Sent | 28 Oct 2026, 10:06:50 UTC |
| Report deadline | 2 Nov 2026, 10:06:50 UTC |
| Received | 28 Oct 2026, 10:55:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652922 |
| Run time | 19 min 31 sec |
| CPU time | 17 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 43,943.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.39 MB |
| Peak swap size | 8.48 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:36:01 (53164): wrapper (7.9.26016): starting
05:36:01 (53164): 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
05:36:02 (53164): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:36:02 (53164): 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\11\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\11\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
05:54:25 (53164): C:/Windows/system32/cmd.exe exited; CPU time 1079.515625
05:54:25 (53164): 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: 20896457 bytes.
Dumping objects ->
{3835250} normal block at 0x000001FE1559C650, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x000001FE13854440, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x000001FE138543D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835217} normal block at 0x000001FE138542F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x000001FE13854130, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835175} normal block at 0x000001FE155E47C0, 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) : {3835162} normal block at 0x000001FE1384E7A0, 8 bytes long.
Data: < Ó þ > 00 00 D3 13 FE 01 00 00
{3833961} normal block at 0x000001FE1384E840, 8 bytes long.
Data: < Ÿ_ þ > 00 9F 5F 15 FE 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FE13850550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FE1383C640, 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 0x000001FE13855130, 16 bytes long.
Data: <Ha… þ > 48 61 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FE138559A0, 16 bytes long.
Data: < a… þ > 20 61 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FE1384FAB0, 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 0x000001FE13855360, 16 bytes long.
Data: <ø`… þ > F8 60 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FE13855220, 16 bytes long.
Data: <Ð`… þ > D0 60 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FE13855B30, 16 bytes long.
Data: <¨`… þ > A8 60 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FE138556D0, 16 bytes long.
Data: < `… þ > 80 60 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FE138544B0, 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 0x000001FE13855040, 16 bytes long.
Data: <Hµƒ þ > 48 B5 83 13 FE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FE1384F450, 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 0x000001FE13854EB0, 16 bytes long.
Data: < µƒ þ > 20 B5 83 13 FE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FE13855900, 16 bytes long.
Data: <ø´ƒ þ > F8 B4 83 13 FE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FE138550E0, 16 bytes long.
Data: <дƒ þ > D0 B4 83 13 FE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FE13855680, 16 bytes long.
Data: <¨´ƒ þ > A8 B4 83 13 FE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FE13855630, 16 bytes long.
Data: < ´ƒ þ > 80 B4 83 13 FE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FE13855AE0, 16 bytes long.
Data: <X´ƒ þ > 58 B4 83 13 FE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FE1384FCF0, 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 0x000001FE13854F00, 16 bytes long.
Data: <0´ƒ þ > 30 B4 83 13 FE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FE1383B430, 320 bytes long.
Data: < O… þ ðü„ þ > 00 4F 85 13 FE 01 00 00 F0 FC 84 13 FE 01 00 00
{276} normal block at 0x000001FE13855A40, 16 bytes long.
Data: <``… þ > 60 60 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FE13854FF0, 16 bytes long.
Data: <8`… þ > 38 60 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FE1384FC90, 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 0x000001FE13855810, 16 bytes long.
Data: < `… þ > 10 60 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FE1384FB10, 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 0x000001FE13854E60, 16 bytes long.
Data: <X_… þ > 58 5F 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FE13855C20, 16 bytes long.
Data: <0_… þ > 30 5F 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FE13855D60, 16 bytes long.
Data: < _… þ > 08 5F 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FE13855A90, 16 bytes long.
Data: <à^… þ > E0 5E 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FE138551D0, 16 bytes long.
Data: <¸^… þ > B8 5E 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FE13855090, 16 bytes long.
Data: < ^… þ > 90 5E 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FE138554A0, 16 bytes long.
Data: < B… þ > 10 42 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FE13854210, 40 bytes long.
Data: < T… þ ÀG^ þ > A0 54 85 13 FE 01 00 00 C0 47 5E 15 FE 01 00 00
{262} normal block at 0x000001FE138555E0, 16 bytes long.
Data: <p^… þ > 70 5E 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FE13855450, 16 bytes long.
Data: <H^… þ > 48 5E 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FE1384F390, 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 0x000001FE13855DB0, 16 bytes long.
Data: < ^… þ > 20 5E 85 13 FE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FE13855E20, 992 bytes long.
Data: <°]… þ ó„ þ > B0 5D 85 13 FE 01 00 00 90 F3 84 13 FE 01 00 00
{94} normal block at 0x000001FE1384F9F0, 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 0x000001FE1384E4D0, 16 bytes long.
Data: <Pß„ þ > 50 DF 84 13 FE 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001FE1384DF50, 40 bytes long.
Data: <Ðä„ þ ðù„ þ > D0 E4 84 13 FE 01 00 00 F0 F9 84 13 FE 01 00 00
{71} normal block at 0x000001FE1384E930, 16 bytes long.
Data: < ê Zö > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FE1384EB10, 16 bytes long.
Data: <@é Zö > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FE1384E5C0, 16 bytes long.
Data: <øW Zö > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FE1384E430, 16 bytes long.
Data: <ØW Zö > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FE1384EAC0, 16 bytes long.
Data: <P Zö > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FE1384EA70, 16 bytes long.
Data: <0 Zö > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FE1384ED40, 16 bytes long.
Data: <à Zö > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FE1384EE30, 16 bytes long.
Data: < Zö > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FE1384E660, 16 bytes long.
Data: <p Zö > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FE1384EF20, 16 bytes long.
Data: < À Zö > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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