Task 38686287
| Name | test_943-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4540_0 |
| Workunit | 31627723 |
| Created | 28 Oct 2026, 1:42:55 UTC |
| Sent | 28 Oct 2026, 1:42:59 UTC |
| Report deadline | 2 Nov 2026, 1:42:59 UTC |
| Received | 28 Oct 2026, 2:28:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653191 |
| Run time | 27 min 19 sec |
| CPU time | 24 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.04 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:01:36 (24272): wrapper (7.9.26016): starting
03:01:36 (24272): 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
03:01:37 (24272): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:01:37 (24272): 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\4\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\4\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
03:27:32 (24272): C:/Windows/system32/cmd.exe exited; CPU time 1487.890625
03:27:32 (24272): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 25455213 bytes.
Dumping objects ->
{3835601} normal block at 0x000001C52FD5FC00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835590} normal block at 0x000001C52FD606F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835579} normal block at 0x000001C52FD5FB20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835568} normal block at 0x000001C52FD60290, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835557} normal block at 0x000001C52E2249D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835526} normal block at 0x000001C52FDDB200, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835515} normal block at 0x000001C52FDEEDE0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835512} normal block at 0x000001C52E21E850, 8 bytes long.
Data: < Y.Å > 00 00 59 2E C5 01 00 00
{3834713} normal block at 0x000001C52FDEEC80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001C52E21F5C0, 8 bytes long.
Data: < Yæ/Å > 90 59 E6 2F C5 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C52E220F00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C52E216A40, 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 0x000001C52E225730, 16 bytes long.
Data: <hg".Å > 68 67 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C52E225D70, 16 bytes long.
Data: <@g".Å > 40 67 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C52E220430, 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 0x000001C52E225AA0, 16 bytes long.
Data: < g".Å > 18 67 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C52E2260E0, 16 bytes long.
Data: <ðf".Å > F0 66 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C52E2257D0, 16 bytes long.
Data: <Èf".Å > C8 66 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C52E225370, 16 bytes long.
Data: < f".Å > A0 66 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C52E224A40, 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 0x000001C52E225C30, 16 bytes long.
Data: < æ!.Å > 18 E6 21 2E C5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C52E2203D0, 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 0x000001C52E225A50, 16 bytes long.
Data: <ðå!.Å > F0 E5 21 2E C5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C52E2254B0, 16 bytes long.
Data: <Èå!.Å > C8 E5 21 2E C5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C52E225A00, 16 bytes long.
Data: < å!.Å > A0 E5 21 2E C5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C52E225AF0, 16 bytes long.
Data: <xå!.Å > 78 E5 21 2E C5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C52E2255A0, 16 bytes long.
Data: <På!.Å > 50 E5 21 2E C5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C52E225F50, 16 bytes long.
Data: <(å!.Å > 28 E5 21 2E C5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C52E21F830, 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 0x000001C52E225F00, 16 bytes long.
Data: < å!.Å > 00 E5 21 2E C5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C52E21E500, 320 bytes long.
Data: < _".Å 0ø!.Å > 00 5F 22 2E C5 01 00 00 30 F8 21 2E C5 01 00 00
{276} normal block at 0x000001C52E225820, 16 bytes long.
Data: < f".Å > 80 66 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C52E225DC0, 16 bytes long.
Data: <Xf".Å > 58 66 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C52E220190, 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 0x000001C52E225690, 16 bytes long.
Data: <0f".Å > 30 66 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C52E220250, 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 0x000001C52E2253C0, 16 bytes long.
Data: <xe".Å > 78 65 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C52E226090, 16 bytes long.
Data: <Pe".Å > 50 65 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C52E225B90, 16 bytes long.
Data: <(e".Å > 28 65 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C52E225BE0, 16 bytes long.
Data: < e".Å > 00 65 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C52E225E10, 16 bytes long.
Data: <Ød".Å > D8 64 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C52E2259B0, 16 bytes long.
Data: <°d".Å > B0 64 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C52E226040, 16 bytes long.
Data: <°J".Å > B0 4A 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C52E224AB0, 40 bytes long.
Data: <@`".Å Ý/Å > 40 60 22 2E C5 01 00 00 00 B2 DD 2F C5 01 00 00
{262} normal block at 0x000001C52E225EB0, 16 bytes long.
Data: < d".Å > 90 64 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C52E225960, 16 bytes long.
Data: <hd".Å > 68 64 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C52E2205B0, 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 0x000001C52E225B40, 16 bytes long.
Data: <@d".Å > 40 64 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C52E226440, 992 bytes long.
Data: <@[".Å ° ".Å > 40 5B 22 2E C5 01 00 00 B0 05 22 2E C5 01 00 00
{94} normal block at 0x000001C52E21F770, 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 0x000001C52E21E8F0, 16 bytes long.
Data: <pL".Å > 70 4C 22 2E C5 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001C52E224C70, 40 bytes long.
Data: <ðè!.Å p÷!.Å > F0 E8 21 2E C5 01 00 00 70 F7 21 2E C5 01 00 00
{71} normal block at 0x000001C52E21F430, 16 bytes long.
Data: < êz ö > 80 EA 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C52E21F610, 16 bytes long.
Data: <@éz ö > 40 E9 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C52E21E760, 16 bytes long.
Data: <øWw ö > F8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C52E21F6B0, 16 bytes long.
Data: <ØWw ö > D8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C52E21EA80, 16 bytes long.
Data: <P w ö > 50 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C52E21EFD0, 16 bytes long.
Data: <0 w ö > 30 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C52E21EA30, 16 bytes long.
Data: <à w ö > E0 02 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C52E21F200, 16 bytes long.
Data: < w ö > 10 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C52E21EF80, 16 bytes long.
Data: <p w ö > 70 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C52E21E990, 16 bytes long.
Data: < Àu ö > 18 C0 75 1A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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