Task 38669683
| Name | test_995-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND6891_0 |
| Workunit | 31611999 |
| Created | 25 Oct 2026, 15:16:48 UTC |
| Sent | 25 Oct 2026, 15:16:50 UTC |
| Report deadline | 30 Oct 2026, 15:16:50 UTC |
| Received | 25 Oct 2026, 15:39:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 559888 |
| Run time | 22 min 2 sec |
| CPU time | 19 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 112,285.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 759.92 MB |
| Peak swap size | 13.26 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:18:27 (33328): wrapper (7.9.26016): starting
15:18:27 (33328): 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
15:18:29 (33328): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:18:29 (33328): 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 'D:\Boinc\data\slots\30\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 'D:\Boinc\data\slots\30\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
15:38:59 (33328): C:/Windows/system32/cmd.exe exited; CPU time 1166.984375
15:38:59 (33328): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 30247572 bytes.
Dumping objects ->
{3835279} normal block at 0x0000029235BE4B70, 48 bytes long.
Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835268} normal block at 0x0000029237A5F400, 32 bytes long.
Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835257} normal block at 0x0000029237A60960, 32 bytes long.
Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74
{3835246} normal block at 0x0000029237A5F580, 32 bytes long.
Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835235} normal block at 0x0000029237A60A80, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{3835204} normal block at 0x0000029235BE4E10, 48 bytes long.
Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835193} normal block at 0x0000029237A2C460, 85 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) : {3835190} normal block at 0x0000029235BDE9D0, 8 bytes long.
Data: < 6’ > 00 00 0B 36 92 02 00 00
{3834567} normal block at 0x0000029237A2C6E0, 85 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 0x0000029235BDF6F0, 8 bytes long.
Data: < :§7’ > 10 3A A7 37 92 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029235BE0AE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029235BD6BA0, 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 0x0000029235BE5B10, 16 bytes long.
Data: <xf¾5’ > 78 66 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029235BE5520, 16 bytes long.
Data: <Pf¾5’ > 50 66 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029235BE0690, 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 0x0000029235BE5AC0, 16 bytes long.
Data: <(f¾5’ > 28 66 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029235BE57F0, 16 bytes long.
Data: < f¾5’ > 00 66 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029235BE5390, 16 bytes long.
Data: <Øe¾5’ > D8 65 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029235BE5D40, 16 bytes long.
Data: <°e¾5’ > B0 65 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029235BE49B0, 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 0x0000029235BE57A0, 16 bytes long.
Data: < ¶¼5’ > 18 B6 BC 35 92 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029235BE0630, 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 0x0000029235BE59D0, 16 bytes long.
Data: <ðµ¼5’ > F0 B5 BC 35 92 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029235BE5700, 16 bytes long.
Data: <ȵ¼5’ > C8 B5 BC 35 92 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029235BE6290, 16 bytes long.
Data: < µ¼5’ > A0 B5 BC 35 92 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029235BE5FC0, 16 bytes long.
Data: <xµ¼5’ > 78 B5 BC 35 92 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029235BE5840, 16 bytes long.
Data: <Pµ¼5’ > 50 B5 BC 35 92 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029235BE56B0, 16 bytes long.
Data: <(µ¼5’ > 28 B5 BC 35 92 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029235BE01B0, 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 0x0000029235BE6240, 16 bytes long.
Data: < µ¼5’ > 00 B5 BC 35 92 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029235BCB500, 320 bytes long.
Data: <@b¾5’ ° ¾5’ > 40 62 BE 35 92 02 00 00 B0 01 BE 35 92 02 00 00
{276} normal block at 0x0000029235BE55C0, 16 bytes long.
Data: < e¾5’ > 90 65 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029235BE5A20, 16 bytes long.
Data: <he¾5’ > 68 65 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029235BE04B0, 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 0x0000029235BE5CF0, 16 bytes long.
Data: <@e¾5’ > 40 65 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029235BDF910, 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 0x0000029235BE5750, 16 bytes long.
Data: < d¾5’ > 88 64 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029235BE5930, 16 bytes long.
Data: <`d¾5’ > 60 64 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029235BE5660, 16 bytes long.
Data: <8d¾5’ > 38 64 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029235BE5430, 16 bytes long.
Data: < d¾5’ > 10 64 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029235BE62E0, 16 bytes long.
Data: <èc¾5’ > E8 63 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029235BE61F0, 16 bytes long.
Data: <Àc¾5’ > C0 63 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029235BE61A0, 16 bytes long.
Data: <ðG¾5’ > F0 47 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029235BE47F0, 40 bytes long.
Data: < a¾5’ N¾5’ > A0 61 BE 35 92 02 00 00 10 4E BE 35 92 02 00 00
{262} normal block at 0x0000029235BE5480, 16 bytes long.
Data: < c¾5’ > A0 63 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029235BE5610, 16 bytes long.
Data: <xc¾5’ > 78 63 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029235BDFE50, 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 0x0000029235BE5C00, 16 bytes long.
Data: <Pc¾5’ > 50 63 BE 35 92 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029235BE6350, 992 bytes long.
Data: < \¾5’ Pþ½5’ > 00 5C BE 35 92 02 00 00 50 FE BD 35 92 02 00 00
{94} normal block at 0x0000029235BDFBB0, 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 0x0000029235BDE980, 16 bytes long.
Data: <ðï¼5’ > F0 EF BC 35 92 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000029235BCEFF0, 40 bytes long.
Data: < é½5’ °û½5’ > 80 E9 BD 35 92 02 00 00 B0 FB BD 35 92 02 00 00
{71} normal block at 0x0000029235BDF3D0, 16 bytes long.
Data: < ê×>ö > 80 EA D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029235BDE8E0, 16 bytes long.
Data: <@é×>ö > 40 E9 D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029235BDEED0, 16 bytes long.
Data: <øWÔ>ö > F8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029235BDEA70, 16 bytes long.
Data: <ØWÔ>ö > D8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029235BDF380, 16 bytes long.
Data: <P Ô>ö > 50 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029235BDEA20, 16 bytes long.
Data: <0 Ô>ö > 30 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029235BDF470, 16 bytes long.
Data: <à Ô>ö > E0 02 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029235BDEB60, 16 bytes long.
Data: < Ô>ö > 10 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029235BDF330, 16 bytes long.
Data: <p Ô>ö > 70 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029235BDED90, 16 bytes long.
Data: < ÀÒ>ö > 18 C0 D2 3E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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