Task 38671696
| Name | test_164-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4234_1 |
| Workunit | 31613571 |
| Created | 25 Oct 2026, 21:18:06 UTC |
| Sent | 25 Oct 2026, 21:18:07 UTC |
| Report deadline | 30 Oct 2026, 21:18:07 UTC |
| Received | 25 Oct 2026, 21:33:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654879 |
| Run time | 14 min 9 sec |
| CPU time | 13 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 84,053.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.49 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:19:28 (24924): wrapper (7.9.26016): starting
22:19:28 (24924): 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
22:19:29 (24924): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:19:29 (24924): 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\6\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\6\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
22:33:05 (24924): C:/Windows/system32/cmd.exe exited; CPU time 807.062500
22:33:05 (24924): 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: 13110047 bytes.
Dumping objects ->
{3835018} normal block at 0x000001ECF8BECF90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835007} normal block at 0x000001ECF8BEC7B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3834996} normal block at 0x000001ECF8BECB30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3834985} normal block at 0x000001ECF8BEC820, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3834974} normal block at 0x000001ECF6F84B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3834943} normal block at 0x000001ECF8C377F0, 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) : {3834930} normal block at 0x000001ECF6F7D3B0, 8 bytes long.
Data: < 9֓ > 00 00 39 F7 EC 01 00 00
{3833961} normal block at 0x000001ECF6F7D040, 8 bytes long.
Data: <ðOÉøì > F0 4F C9 F8 EC 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001ECF6F80E00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001ECF6F6F3E0, 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 0x000001ECF6F85740, 16 bytes long.
Data: <Xgøöì > 58 67 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ECF6F85BF0, 16 bytes long.
Data: <0gøöì > 30 67 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001ECF6F7EDF0, 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 0x000001ECF6F85BA0, 16 bytes long.
Data: < gøöì > 08 67 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ECF6F856A0, 16 bytes long.
Data: <àføöì > E0 66 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ECF6F85A60, 16 bytes long.
Data: <¸føöì > B8 66 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ECF6F85B50, 16 bytes long.
Data: < føöì > 90 66 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ECF6F848E0, 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 0x000001ECF6F85A10, 16 bytes long.
Data: <HŽ÷öì > 48 8E F7 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ECF6F7F450, 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 0x000001ECF6F85AB0, 16 bytes long.
Data: < Ž÷öì > 20 8E F7 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ECF6F86000, 16 bytes long.
Data: <ø÷öì > F8 8D F7 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ECF6F85600, 16 bytes long.
Data: <Ѝ÷öì > D0 8D F7 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ECF6F863C0, 16 bytes long.
Data: <¨÷öì > A8 8D F7 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ECF6F85880, 16 bytes long.
Data: < ÷öì > 80 8D F7 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ECF6F857E0, 16 bytes long.
Data: <X÷öì > 58 8D F7 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ECF6F7EF70, 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 0x000001ECF6F85560, 16 bytes long.
Data: <0÷öì > 30 8D F7 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ECF6F78D30, 320 bytes long.
Data: <`Uøöì pï÷öì > 60 55 F8 F6 EC 01 00 00 70 EF F7 F6 EC 01 00 00
{276} normal block at 0x000001ECF6F85790, 16 bytes long.
Data: <pføöì > 70 66 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ECF6F855B0, 16 bytes long.
Data: <Hføöì > 48 66 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ECF6F7F270, 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 0x000001ECF6F859C0, 16 bytes long.
Data: < føöì > 20 66 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ECF6F7F330, 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 0x000001ECF6F86140, 16 bytes long.
Data: <heøöì > 68 65 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ECF6F85920, 16 bytes long.
Data: <@eøöì > 40 65 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ECF6F85EC0, 16 bytes long.
Data: < eøöì > 18 65 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ECF6F858D0, 16 bytes long.
Data: <ðdøöì > F0 64 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ECF6F85CE0, 16 bytes long.
Data: <Èdøöì > C8 64 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ECF6F86230, 16 bytes long.
Data: < døöì > A0 64 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ECF6F854C0, 16 bytes long.
Data: <°Føöì > B0 46 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ECF6F846B0, 40 bytes long.
Data: <ÀTøöì ðwÃøì > C0 54 F8 F6 EC 01 00 00 F0 77 C3 F8 EC 01 00 00
{262} normal block at 0x000001ECF6F85970, 16 bytes long.
Data: < døöì > 80 64 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ECF6F85FB0, 16 bytes long.
Data: <Xdøöì > 58 64 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001ECF6F7EE50, 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 0x000001ECF6F856F0, 16 bytes long.
Data: <0døöì > 30 64 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001ECF6F86430, 992 bytes long.
Data: <ðVøöì Pî÷öì > F0 56 F8 F6 EC 01 00 00 50 EE F7 F6 EC 01 00 00
{94} normal block at 0x000001ECF6F7F030, 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 0x000001ECF6F7DEF0, 16 bytes long.
Data: < Høöì > 00 48 F8 F6 EC 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001ECF6F84800, 40 bytes long.
Data: <ðÞ÷öì 0ð÷öì > F0 DE F7 F6 EC 01 00 00 30 F0 F7 F6 EC 01 00 00
{71} normal block at 0x000001ECF6F7D540, 16 bytes long.
Data: < êŸ7÷ > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001ECF6F7D4F0, 16 bytes long.
Data: <@éŸ7÷ > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ECF6F7D360, 16 bytes long.
Data: <øWœ7÷ > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ECF6F7D7C0, 16 bytes long.
Data: <ØWœ7÷ > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ECF6F7D4A0, 16 bytes long.
Data: <P œ7÷ > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ECF6F7D770, 16 bytes long.
Data: <0 œ7÷ > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ECF6F7D450, 16 bytes long.
Data: <à œ7÷ > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ECF6F7D630, 16 bytes long.
Data: < œ7÷ > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ECF6F7DC70, 16 bytes long.
Data: <p œ7÷ > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ECF6F7DA40, 16 bytes long.
Data: < Àš7÷ > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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