Task 38697018
| Name | test_94-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND4104_0 |
| Workunit | 31637622 |
| Created | 1 Nov 2026, 7:48:10 UTC |
| Sent | 1 Nov 2026, 7:48:16 UTC |
| Report deadline | 6 Nov 2026, 7:48:16 UTC |
| Received | 1 Nov 2026, 10:12:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637740 |
| Run time | 1 hours 42 min 15 sec |
| CPU time | 1 hours 29 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,035.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 680.41 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:33:20 (24248): wrapper (7.9.26016): starting
09:33:20 (24248): 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
09:33:23 (24248): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:33:23 (24248): 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\0\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\0\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
11:11:47 (24248): C:/Windows/system32/cmd.exe exited; CPU time 5392.796875
11:11:47 (24248): 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: 101547695 bytes.
Dumping objects ->
{3835444} normal block at 0x0000014A1755D3B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835433} normal block at 0x0000014A1755E060, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835422} normal block at 0x0000014A158E5170, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835411} normal block at 0x0000014A158E5100, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835400} normal block at 0x0000014A158E5020, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835369} normal block at 0x0000014A175A5580, 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) : {3835356} normal block at 0x0000014A158DF340, 8 bytes long.
Data: < Ê J > 00 00 CA 15 4A 01 00 00
{3833965} normal block at 0x0000014A158DF5C0, 8 bytes long.
Data: <°ÙŒ J > B0 D9 8C 15 4A 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000014A158E1400, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000014A158D6CD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000014A158E5B00, 16 bytes long.
Data: <ØiŽ J > D8 69 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000014A158E6410, 16 bytes long.
Data: <°iŽ J > B0 69 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000014A158DFD70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000014A158E5880, 16 bytes long.
Data: < iŽ J > 88 69 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000014A158E6050, 16 bytes long.
Data: <`iŽ J > 60 69 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000014A158E5830, 16 bytes long.
Data: <8iŽ J > 38 69 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000014A158E5CE0, 16 bytes long.
Data: < iŽ J > 10 69 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000014A158E5090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000014A158E6370, 16 bytes long.
Data: <8ê J > 38 EA 8D 15 4A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000014A158DFCB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000014A158E60A0, 16 bytes long.
Data: < ê J > 10 EA 8D 15 4A 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000014A158E5EC0, 16 bytes long.
Data: <èé J > E8 E9 8D 15 4A 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000014A158E5BF0, 16 bytes long.
Data: <Àé J > C0 E9 8D 15 4A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014A158E5BA0, 16 bytes long.
Data: < é J > 98 E9 8D 15 4A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000014A158E5AB0, 16 bytes long.
Data: <pé J > 70 E9 8D 15 4A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014A158E6280, 16 bytes long.
Data: <Hé J > 48 E9 8D 15 4A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014A158DFB90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000014A158E5E70, 16 bytes long.
Data: < é J > 20 E9 8D 15 4A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000014A158DE920, 320 bytes long.
Data: <p^Ž J û J > 70 5E 8E 15 4A 01 00 00 90 FB 8D 15 4A 01 00 00
{278} normal block at 0x0000014A158E5C90, 16 bytes long.
Data: <ðhŽ J > F0 68 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000014A158E5F60, 16 bytes long.
Data: <ÈhŽ J > C8 68 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000014A158E0490, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000014A158E5790, 16 bytes long.
Data: < hŽ J > A0 68 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000014A158E07F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000014A158E57E0, 16 bytes long.
Data: <ègŽ J > E8 67 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000014A158E62D0, 16 bytes long.
Data: <ÀgŽ J > C0 67 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000014A158E63C0, 16 bytes long.
Data: < gŽ J > 98 67 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000014A158E65A0, 16 bytes long.
Data: <pgŽ J > 70 67 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000014A158E58D0, 16 bytes long.
Data: <HgŽ J > 48 67 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000014A158E5E20, 16 bytes long.
Data: < gŽ J > 20 67 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000014A158E5C40, 16 bytes long.
Data: <àQŽ J > E0 51 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000014A158E51E0, 40 bytes long.
Data: <@\Ž J UZ J > 40 5C 8E 15 4A 01 00 00 80 55 5A 17 4A 01 00 00
{264} normal block at 0x0000014A158E6230, 16 bytes long.
Data: < gŽ J > 00 67 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000014A158E5F10, 16 bytes long.
Data: <ØfŽ J > D8 66 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000014A158E0190, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000014A158E5970, 16 bytes long.
Data: <°fŽ J > B0 66 8E 15 4A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000014A158E66B0, 992 bytes long.
Data: <pYŽ J Ž J > 70 59 8E 15 4A 01 00 00 90 01 8E 15 4A 01 00 00
{96} normal block at 0x0000014A158E0250, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000014A158DF480, 16 bytes long.
Data: <0çŒ J > 30 E7 8C 15 4A 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000014A158CE730, 40 bytes long.
Data: < ô J P Ž J > 80 F4 8D 15 4A 01 00 00 50 02 8E 15 4A 01 00 00
{73} normal block at 0x0000014A158DEF80, 16 bytes long.
Data: < ê-$ö > 80 EA 2D 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000014A158DFA20, 16 bytes long.
Data: <@é-$ö > 40 E9 2D 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000014A158DF890, 16 bytes long.
Data: <øW*$ö > F8 57 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000014A158DF700, 16 bytes long.
Data: <ØW*$ö > D8 57 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000014A158DED00, 16 bytes long.
Data: <P *$ö > 50 04 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000014A158DF070, 16 bytes long.
Data: <0 *$ö > 30 04 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000014A158DF250, 16 bytes long.
Data: <à *$ö > E0 02 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000014A158DF110, 16 bytes long.
Data: < *$ö > 10 04 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000014A158DEB70, 16 bytes long.
Data: <p *$ö > 70 04 2A 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000014A158DF610, 16 bytes long.
Data: < À($ö > 18 C0 28 24 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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