Task 38660859
| Name | test_850-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND4036_0 |
| Workunit | 31604327 |
| Created | 24 Oct 2026, 14:50:35 UTC |
| Sent | 24 Oct 2026, 14:58:28 UTC |
| Report deadline | 29 Oct 2026, 14:58:28 UTC |
| Received | 24 Oct 2026, 15:40:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643341 |
| Run time | 19 min 30 sec |
| CPU time | 16 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,871.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.32 MB |
| Peak swap size | 9.95 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:17:38 (31548): wrapper (7.9.26016): starting
17:17:38 (31548): 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
17:17:39 (31548): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:17:39 (31548): 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\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 'D:\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
17:36:00 (31548): C:/Windows/system32/cmd.exe exited; CPU time 961.765625
17:36:00 (31548): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 23672253 bytes.
Dumping objects ->
{3835203} normal block at 0x0000029CB4256070, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835192} normal block at 0x0000029CB6455850, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835181} normal block at 0x0000029CB64554F0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835170} normal block at 0x0000029CB6456270, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835159} normal block at 0x0000029CB6454F50, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835128} normal block at 0x0000029CB4256150, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835115} normal block at 0x0000029CB424C940, 8 bytes long.
Data: < ´œ > 00 00 01 B4 9C 02 00 00
{3833961} normal block at 0x0000029CB424CE90, 8 bytes long.
Data: < 5F¶œ > 00 35 46 B6 9C 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029CB4245BE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029CB424EEC0, 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 0x0000029CB42549C0, 16 bytes long.
Data: <xY%´œ > 78 59 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029CB42550F0, 16 bytes long.
Data: <PY%´œ > 50 59 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029CB424F810, 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 0x0000029CB4254F60, 16 bytes long.
Data: <(Y%´œ > 28 59 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029CB42546A0, 16 bytes long.
Data: < Y%´œ > 00 59 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029CB4254D80, 16 bytes long.
Data: <ØX%´œ > D8 58 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029CB4254E20, 16 bytes long.
Data: <°X%´œ > B0 58 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029CB4255C80, 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 0x0000029CB4254740, 16 bytes long.
Data: <8ð#´œ > 38 F0 23 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029CB424FC90, 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 0x0000029CB42544C0, 16 bytes long.
Data: < ð#´œ > 10 F0 23 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029CB4254470, 16 bytes long.
Data: <èï#´œ > E8 EF 23 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029CB4254D30, 16 bytes long.
Data: <Àï#´œ > C0 EF 23 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029CB4254420, 16 bytes long.
Data: < ï#´œ > 98 EF 23 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029CB4254E70, 16 bytes long.
Data: <pï#´œ > 70 EF 23 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029CB42546F0, 16 bytes long.
Data: <Hï#´œ > 48 EF 23 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029CB4250590, 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 0x0000029CB4254CE0, 16 bytes long.
Data: < ï#´œ > 20 EF 23 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029CB423EF20, 320 bytes long.
Data: <àL%´œ %´œ > E0 4C 25 B4 9C 02 00 00 90 05 25 B4 9C 02 00 00
{276} normal block at 0x0000029CB4254650, 16 bytes long.
Data: < X%´œ > 90 58 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029CB42543D0, 16 bytes long.
Data: <hX%´œ > 68 58 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029CB424FAB0, 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 0x0000029CB4254C90, 16 bytes long.
Data: <@X%´œ > 40 58 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029CB424FD50, 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 0x0000029CB42551E0, 16 bytes long.
Data: < W%´œ > 88 57 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029CB4255050, 16 bytes long.
Data: <`W%´œ > 60 57 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029CB4254DD0, 16 bytes long.
Data: <8W%´œ > 38 57 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029CB4254380, 16 bytes long.
Data: < W%´œ > 10 57 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029CB4254BF0, 16 bytes long.
Data: <èV%´œ > E8 56 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029CB4254AB0, 16 bytes long.
Data: <ÀV%´œ > C0 56 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029CB42550A0, 16 bytes long.
Data: <pã$´œ > 70 E3 24 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029CB424E370, 40 bytes long.
Data: < P%´œ Pa%´œ > A0 50 25 B4 9C 02 00 00 50 61 25 B4 9C 02 00 00
{262} normal block at 0x0000029CB4254EC0, 16 bytes long.
Data: < V%´œ > A0 56 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029CB4254BA0, 16 bytes long.
Data: <xV%´œ > 78 56 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029CB424FB10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000029CB4254330, 16 bytes long.
Data: <PV%´œ > 50 56 25 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029CB4255650, 992 bytes long.
Data: <0C%´œ û$´œ > 30 43 25 B4 9C 02 00 00 10 FB 24 B4 9C 02 00 00
{94} normal block at 0x0000029CB424FF90, 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 0x0000029CB424CD00, 16 bytes long.
Data: <Ðó#´œ > D0 F3 23 B4 9C 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000029CB423F3D0, 40 bytes long.
Data: < Í$´œ ÿ$´œ > 00 CD 24 B4 9C 02 00 00 90 FF 24 B4 9C 02 00 00
{71} normal block at 0x0000029CB424D390, 16 bytes long.
Data: < êÏ×ö > 80 EA CF D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029CB424CFD0, 16 bytes long.
Data: <@éÏ×ö > 40 E9 CF D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029CB424D610, 16 bytes long.
Data: <øWÌ×ö > F8 57 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029CB424C8F0, 16 bytes long.
Data: <ØWÌ×ö > D8 57 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029CB424D430, 16 bytes long.
Data: <P Ì×ö > 50 04 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029CB424CDA0, 16 bytes long.
Data: <0 Ì×ö > 30 04 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029CB424CBC0, 16 bytes long.
Data: <à Ì×ö > E0 02 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029CB424CC10, 16 bytes long.
Data: < Ì×ö > 10 04 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029CB424CEE0, 16 bytes long.
Data: <p Ì×ö > 70 04 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029CB424C990, 16 bytes long.
Data: < ÀÊ×ö > 18 C0 CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra