Task 38687770
| Name | test_765-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND7021_0 |
| Workunit | 31629150 |
| Created | 28 Oct 2026, 9:41:54 UTC |
| Sent | 28 Oct 2026, 9:42:00 UTC |
| Report deadline | 2 Nov 2026, 9:42:00 UTC |
| Received | 28 Oct 2026, 11:21:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653248 |
| Run time | 34 min 48 sec |
| CPU time | 32 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,933.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.34 MB |
| Peak swap size | 6.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:38:03 (23188): wrapper (7.9.26016): starting
06:38:03 (23188): 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
06:38:04 (23188): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:38:04 (23188): 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\2\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\2\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
07:11:25 (23188): C:/Windows/system32/cmd.exe exited; CPU time 1977.843750
07:11:25 (23188): 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: 32369053 bytes.
Dumping objects ->
{3835185} normal block at 0x000001BB5AF24AE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835174} normal block at 0x000001BB5AF24A70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x000001BB5AF24ED0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835152} normal block at 0x000001BB5AF24A00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835141} normal block at 0x000001BB5AF24DF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835110} normal block at 0x000001BB5CC664C0, 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) : {3835097} normal block at 0x000001BB5AF20410, 8 bytes long.
Data: < >[» > 00 00 3E 5B BB 01 00 00
{3833953} normal block at 0x000001BB5AF207D0, 8 bytes long.
Data: <0¡ôZ» > 30 A1 F4 5A BB 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001BB5AF1EF30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BB5AF154A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001BB5AF25C00, 16 bytes long.
Data: <ÈfòZ» > C8 66 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BB5AF26150, 16 bytes long.
Data: < fòZ» > A0 66 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BB5AF1FB20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001BB5AF25BB0, 16 bytes long.
Data: <xfòZ» > 78 66 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BB5AF25570, 16 bytes long.
Data: <PfòZ» > 50 66 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BB5AF25A20, 16 bytes long.
Data: <(fòZ» > 28 66 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BB5AF25B60, 16 bytes long.
Data: < fòZ» > 00 66 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BB5AF24C30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001BB5AF259D0, 16 bytes long.
Data: < ãñZ» > 08 E3 F1 5A BB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BB5AF1FF40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001BB5AF25890, 16 bytes long.
Data: <àâñZ» > E0 E2 F1 5A BB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BB5AF257A0, 16 bytes long.
Data: <¸âñZ» > B8 E2 F1 5A BB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BB5AF261A0, 16 bytes long.
Data: < âñZ» > 90 E2 F1 5A BB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BB5AF25750, 16 bytes long.
Data: <hâñZ» > 68 E2 F1 5A BB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BB5AF25E30, 16 bytes long.
Data: <@âñZ» > 40 E2 F1 5A BB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BB5AF25F70, 16 bytes long.
Data: < âñZ» > 18 E2 F1 5A BB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BB5AF1FD60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001BB5AF25430, 16 bytes long.
Data: <ðáñZ» > F0 E1 F1 5A BB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BB5AF1E1F0, 320 bytes long.
Data: <0TòZ» `ýñZ» > 30 54 F2 5A BB 01 00 00 60 FD F1 5A BB 01 00 00
{272} normal block at 0x000001BB5AF25930, 16 bytes long.
Data: <àeòZ» > E0 65 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BB5AF25700, 16 bytes long.
Data: <¸eòZ» > B8 65 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BB5AF20240, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001BB5AF25610, 16 bytes long.
Data: < eòZ» > 90 65 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BB5AF201E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001BB5AF25F20, 16 bytes long.
Data: <ØdòZ» > D8 64 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BB5AF25B10, 16 bytes long.
Data: <°dòZ» > B0 64 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BB5AF258E0, 16 bytes long.
Data: < dòZ» > 88 64 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BB5AF25CA0, 16 bytes long.
Data: <`dòZ» > 60 64 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BB5AF257F0, 16 bytes long.
Data: <8dòZ» > 38 64 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BB5AF260B0, 16 bytes long.
Data: < dòZ» > 10 64 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BB5AF26100, 16 bytes long.
Data: <°HòZ» > B0 48 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BB5AF248B0, 40 bytes long.
Data: < aòZ» ÀdÆ\» > 00 61 F2 5A BB 01 00 00 C0 64 C6 5C BB 01 00 00
{258} normal block at 0x000001BB5AF256B0, 16 bytes long.
Data: <ðcòZ» > F0 63 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BB5AF25840, 16 bytes long.
Data: <ÈcòZ» > C8 63 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BB5AF1FCA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001BB5AF25660, 16 bytes long.
Data: < còZ» > A0 63 F2 5A BB 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001BB5AF263A0, 992 bytes long.
Data: <`VòZ»  üñZ» > 60 56 F2 5A BB 01 00 00 A0 FC F1 5A BB 01 00 00
{90} normal block at 0x000001BB5AF1FB80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001BB5AF20500, 16 bytes long.
Data: < îðZ» > 10 EE F0 5A BB 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001BB5AF0EE10, 40 bytes long.
Data: < òZ» ûñZ» > 00 05 F2 5A BB 01 00 00 80 FB F1 5A BB 01 00 00
{67} normal block at 0x000001BB5AF20EB0, 16 bytes long.
Data: < ê¦ ö > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BB5AF20E60, 16 bytes long.
Data: <@é¦ ö > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BB5AF20640, 16 bytes long.
Data: <øW£ ö > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BB5AF20870, 16 bytes long.
Data: <ØW£ ö > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BB5AF20780, 16 bytes long.
Data: <P £ ö > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BB5AF20960, 16 bytes long.
Data: <0 £ ö > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BB5AF20C80, 16 bytes long.
Data: <à £ ö > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BB5AF20E10, 16 bytes long.
Data: < £ ö > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BB5AF208C0, 16 bytes long.
Data: <p £ ö > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BB5AF204B0, 16 bytes long.
Data: < À¡ ö > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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