Task 38696310
| Name | test_7-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND6747_0 |
| Workunit | 31636951 |
| Created | 31 Oct 2026, 22:00:35 UTC |
| Sent | 31 Oct 2026, 22:00:38 UTC |
| Report deadline | 5 Nov 2026, 22:00:38 UTC |
| Received | 31 Oct 2026, 22:22:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650764 |
| Run time | 21 min 9 sec |
| CPU time | 19 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 | 725.17 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 3.59 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:01:38 (33948): wrapper (7.9.26016): starting
00:01:38 (33948): 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
00:01:40 (33948): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:01:40 (33948): 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
00:21:55 (33948): C:/Windows/system32/cmd.exe exited; CPU time 1141.015625
00:21:55 (33948): 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: 23592533 bytes.
Dumping objects ->
{3835229} normal block at 0x000001468CF94630, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x000001468CF94550, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x000001468CF94400, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835196} normal block at 0x000001468CF94320, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x000001468CF942B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835154} normal block at 0x000001468EC8BBC0, 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) : {3835141} normal block at 0x000001468CF8EB60, 8 bytes long.
Data: < J F > 00 00 4A 8D 46 01 00 00
{3833941} normal block at 0x000001468CF8F3D0, 8 bytes long.
Data: <0¬ûŒF > 30 AC FB 8C 46 01 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001468CF853E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001468CF861E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{286} normal block at 0x000001468CF94B20, 16 bytes long.
Data: < ZùŒF > 98 5A F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001468CF95200, 16 bytes long.
Data: <pZùŒF > 70 5A F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001468CF92810, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{283} normal block at 0x000001468CF94D00, 16 bytes long.
Data: <HZùŒF > 48 5A F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001468CF94A30, 16 bytes long.
Data: < ZùŒF > 20 5A F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001468CF948F0, 16 bytes long.
Data: <øYùŒF > F8 59 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001468CF95390, 16 bytes long.
Data: <ÐYùŒF > D0 59 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001468CF940F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{278} normal block at 0x000001468CF951B0, 16 bytes long.
Data: <ø“øŒF > F8 93 F8 8C 46 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001468CF92450, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{276} normal block at 0x000001468CF95610, 16 bytes long.
Data: <ГøŒF > D0 93 F8 8C 46 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001468CF94C60, 16 bytes long.
Data: <¨“øŒF > A8 93 F8 8C 46 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001468CF94800, 16 bytes long.
Data: < “øŒF > 80 93 F8 8C 46 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001468CF949E0, 16 bytes long.
Data: <X“øŒF > 58 93 F8 8C 46 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001468CF95110, 16 bytes long.
Data: <0“øŒF > 30 93 F8 8C 46 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001468CF952A0, 16 bytes long.
Data: < “øŒF > 08 93 F8 8C 46 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001468CF92390, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{268} normal block at 0x000001468CF95340, 16 bytes long.
Data: <à’øŒF > E0 92 F8 8C 46 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001468CF892E0, 320 bytes long.
Data: <@SùŒF #ùŒF > 40 53 F9 8C 46 01 00 00 90 23 F9 8C 46 01 00 00
{266} normal block at 0x000001468CF94EE0, 16 bytes long.
Data: <°YùŒF > B0 59 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001468CF947B0, 16 bytes long.
Data: < YùŒF > 88 59 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001468CF927B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{263} normal block at 0x000001468CF94BC0, 16 bytes long.
Data: <`YùŒF > 60 59 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001468CF92750, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{261} normal block at 0x000001468CF95480, 16 bytes long.
Data: <¨XùŒF > A8 58 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001468CF94A80, 16 bytes long.
Data: < XùŒF > 80 58 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001468CF94FD0, 16 bytes long.
Data: <XXùŒF > 58 58 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001468CF954D0, 16 bytes long.
Data: <0XùŒF > 30 58 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001468CF94E40, 16 bytes long.
Data: < XùŒF > 08 58 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001468CF95250, 16 bytes long.
Data: <àWùŒF > E0 57 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001468CF948A0, 16 bytes long.
Data: <ÀEùŒF > C0 45 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001468CF945C0, 40 bytes long.
Data: < HùŒF À»ÈŽF > A0 48 F9 8C 46 01 00 00 C0 BB C8 8E 46 01 00 00
{252} normal block at 0x000001468CF955C0, 16 bytes long.
Data: <ÀWùŒF > C0 57 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001468CF94850, 16 bytes long.
Data: < WùŒF > 98 57 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001468CF91C70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{249} normal block at 0x000001468CF956B0, 16 bytes long.
Data: <pWùŒF > 70 57 F9 8C 46 01 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x000001468CF95770, 992 bytes long.
Data: <°VùŒF p ùŒF > B0 56 F9 8C 46 01 00 00 70 1C F9 8C 46 01 00 00
{84} normal block at 0x000001468CF91FD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{83} normal block at 0x000001468CF8E9D0, 16 bytes long.
Data: <àì÷ŒF > E0 EC F7 8C 46 01 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001468CF7ECE0, 40 bytes long.
Data: <ÐéøŒF Ð ùŒF > D0 E9 F8 8C 46 01 00 00 D0 1F F9 8C 46 01 00 00
{61} normal block at 0x000001468CF8F010, 16 bytes long.
Data: < êa1÷ > 80 EA 61 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001468CF8F560, 16 bytes long.
Data: <@éa1÷ > 40 E9 61 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001468CF8ECA0, 16 bytes long.
Data: <øW^1÷ > F8 57 5E 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001468CF8F330, 16 bytes long.
Data: <ØW^1÷ > D8 57 5E 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001468CF8E980, 16 bytes long.
Data: <P ^1÷ > 50 04 5E 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001468CF8EF20, 16 bytes long.
Data: <0 ^1÷ > 30 04 5E 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001468CF8F150, 16 bytes long.
Data: <à ^1÷ > E0 02 5E 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001468CF8F510, 16 bytes long.
Data: < ^1÷ > 10 04 5E 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001468CF8EED0, 16 bytes long.
Data: <p ^1÷ > 70 04 5E 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000001468CF8F060, 16 bytes long.
Data: < À\1÷ > 18 C0 5C 31 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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