Task 38670437
| Name | test_956-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5900_0 |
| Workunit | 31612688 |
| Created | 25 Oct 2026, 17:32:02 UTC |
| Sent | 25 Oct 2026, 17:32:05 UTC |
| Report deadline | 30 Oct 2026, 17:32:05 UTC |
| Received | 25 Oct 2026, 19:09:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 602451 |
| Run time | 1 hours 34 min 39 sec |
| CPU time | 1 hours 31 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,200.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 679.05 MB |
| Peak swap size | 5.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:33:28 (19384): wrapper (7.9.26016): starting
18:33:28 (19384): 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
18:33:49 (19384): Library/usr/bin/tar.exe exited; CPU time 0.125000
18:33:49 (19384): 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\1\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\1\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
20:09:18 (19384): C:/Windows/system32/cmd.exe exited; CPU time 5462.078125
20:09:18 (19384): 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: 90486035 bytes.
Dumping objects ->
{3835513} normal block at 0x0000017EFF8E4E60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835502} normal block at 0x0000017EFF8E4DF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835491} normal block at 0x0000017EFF8E4D80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835480} normal block at 0x0000017EFF8E4CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835469} normal block at 0x0000017EFF8E53A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835438} normal block at 0x0000017E814F8000, 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) : {3835425} normal block at 0x0000017EFF8DF650, 8 bytes long.
Data: < ¿ÿ~ > 00 00 BF FF 7E 01 00 00
{3833967} normal block at 0x0000017EFF8DF510, 8 bytes long.
Data: <`IU ~ > 60 49 55 81 7E 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000017EFF8E16C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000017EFF8D56F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000017EFF8E6310, 16 bytes long.
Data: < gŽÿ~ > 98 67 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000017EFF8E6180, 16 bytes long.
Data: <pgŽÿ~ > 70 67 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000017EFF8DF950, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000017EFF8E5500, 16 bytes long.
Data: <HgŽÿ~ > 48 67 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000017EFF8E6270, 16 bytes long.
Data: < gŽÿ~ > 20 67 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017EFF8E5EB0, 16 bytes long.
Data: <øfŽÿ~ > F8 66 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000017EFF8E56E0, 16 bytes long.
Data: <ÐfŽÿ~ > D0 66 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000017EFF8E5250, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000017EFF8E6400, 16 bytes long.
Data: <(æŒÿ~ > 28 E6 8C FF 7E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000017EFF8DFA70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000017EFF8E5730, 16 bytes long.
Data: < æŒÿ~ > 00 E6 8C FF 7E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017EFF8E6220, 16 bytes long.
Data: <ØåŒÿ~ > D8 E5 8C FF 7E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017EFF8E5CD0, 16 bytes long.
Data: <°åŒÿ~ > B0 E5 8C FF 7E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017EFF8E5C80, 16 bytes long.
Data: < åŒÿ~ > 88 E5 8C FF 7E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017EFF8E5FA0, 16 bytes long.
Data: <`åŒÿ~ > 60 E5 8C FF 7E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017EFF8E5E60, 16 bytes long.
Data: <8åŒÿ~ > 38 E5 8C FF 7E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017EFF8E02B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000017EFF8E61D0, 16 bytes long.
Data: < åŒÿ~ > 10 E5 8C FF 7E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017EFF8CE510, 320 bytes long.
Data: <ÐaŽÿ~ ° Žÿ~ > D0 61 8E FF 7E 01 00 00 B0 02 8E FF 7E 01 00 00
{279} normal block at 0x0000017EFF8E5C30, 16 bytes long.
Data: <°fŽÿ~ > B0 66 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017EFF8E5BE0, 16 bytes long.
Data: < fŽÿ~ > 88 66 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017EFF8E01F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000017EFF8E5B40, 16 bytes long.
Data: <`fŽÿ~ > 60 66 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017EFF8E05B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000017EFF8E57D0, 16 bytes long.
Data: <¨eŽÿ~ > A8 65 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017EFF8E59B0, 16 bytes long.
Data: < eŽÿ~ > 80 65 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017EFF8E5960, 16 bytes long.
Data: <XeŽÿ~ > 58 65 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017EFF8E6090, 16 bytes long.
Data: <0eŽÿ~ > 30 65 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017EFF8E60E0, 16 bytes long.
Data: < eŽÿ~ > 08 65 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017EFF8E5550, 16 bytes long.
Data: <àdŽÿ~ > E0 64 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017EFF8E5E10, 16 bytes long.
Data: < MŽÿ~ > 10 4D 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017EFF8E4D10, 40 bytes long.
Data: < ^Žÿ~ O ~ > 10 5E 8E FF 7E 01 00 00 00 80 4F 81 7E 01 00 00
{265} normal block at 0x0000017EFF8E5A50, 16 bytes long.
Data: <ÀdŽÿ~ > C0 64 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017EFF8E5FF0, 16 bytes long.
Data: < dŽÿ~ > 98 64 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017EFF8E0190, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000017EFF8E5910, 16 bytes long.
Data: <pdŽÿ~ > 70 64 8E FF 7E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017EFF8E6470, 992 bytes long.
Data: < YŽÿ~ Žÿ~ > 10 59 8E FF 7E 01 00 00 90 01 8E FF 7E 01 00 00
{97} normal block at 0x0000017EFF8E0250, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000017EFF8DEC50, 16 bytes long.
Data: < ÔŒÿ~ > 20 D4 8C FF 7E 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000017EFF8CD420, 40 bytes long.
Data: <Pì ÿ~ P Žÿ~ > 50 EC 8D FF 7E 01 00 00 50 02 8E FF 7E 01 00 00
{74} normal block at 0x0000017EFF8DF100, 16 bytes long.
Data: < ê*Šö > 80 EA 2A 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000017EFF8DF420, 16 bytes long.
Data: <@é*Šö > 40 E9 2A 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000017EFF8DED40, 16 bytes long.
Data: <øW'Šö > F8 57 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000017EFF8DF3D0, 16 bytes long.
Data: <ØW'Šö > D8 57 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017EFF8DEA20, 16 bytes long.
Data: <P 'Šö > 50 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017EFF8DF150, 16 bytes long.
Data: <0 'Šö > 30 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017EFF8DF290, 16 bytes long.
Data: <à 'Šö > E0 02 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017EFF8DF240, 16 bytes long.
Data: < 'Šö > 10 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017EFF8DEDE0, 16 bytes long.
Data: <p 'Šö > 70 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017EFF8DF470, 16 bytes long.
Data: < À%Šö > 18 C0 25 8A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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