Task 38665236
| Name | test_531-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND8972_0 |
| Workunit | 31608349 |
| Created | 25 Oct 2026, 0:53:25 UTC |
| Sent | 25 Oct 2026, 0:59:16 UTC |
| Report deadline | 30 Oct 2026, 0:59:16 UTC |
| Received | 25 Oct 2026, 8:43:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654060 |
| Run time | 3 hours 47 min 59 sec |
| CPU time | 3 hours 44 min 28 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 23,707.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.11 MB |
| Peak swap size | 8.41 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:55:42 (2144): wrapper (7.9.26016): starting
23:55:42 (2144): 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
23:55:43 (2144): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:55:43 (2144): 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
03:42:51 (2144): C:/Windows/system32/cmd.exe exited; CPU time 13468.734375
03:42:51 (2144): 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: 332437527 bytes.
Dumping objects ->
{3835258} normal block at 0x000001FA413EE430, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x000001FA3F6765E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x000001FA3F676500, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835225} normal block at 0x000001FA3F676810, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x000001FA3F676490, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835183} normal block at 0x000001FA4143CC50, 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) : {3835170} normal block at 0x000001FA3F6709D0, 8 bytes long.
Data: < ²?ú > 00 00 B2 3F FA 01 00 00
{3833959} normal block at 0x000001FA3F670390, 8 bytes long.
Data: < Zg?ú > 80 5A 67 3F FA 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FA3F672180, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FA3F668320, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001FA3F677710, 16 bytes long.
Data: <hlg?ú > 68 6C 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FA3F6778A0, 16 bytes long.
Data: <@lg?ú > 40 6C 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FA3F671530, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001FA3F677A80, 16 bytes long.
Data: < lg?ú > 18 6C 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FA3F6777B0, 16 bytes long.
Data: <ðkg?ú > F0 6B 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FA3F677AD0, 16 bytes long.
Data: <Èkg?ú > C8 6B 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FA3F676E50, 16 bytes long.
Data: < kg?ú > A0 6B 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FA3F676650, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001FA3F677580, 16 bytes long.
Data: < åe?ú > 18 E5 65 3F FA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FA3F671B30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001FA3F6775D0, 16 bytes long.
Data: <ðäe?ú > F0 E4 65 3F FA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FA3F677D00, 16 bytes long.
Data: <Èäe?ú > C8 E4 65 3F FA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FA3F677170, 16 bytes long.
Data: < äe?ú > A0 E4 65 3F FA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FA3F6773F0, 16 bytes long.
Data: <xäe?ú > 78 E4 65 3F FA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FA3F677CB0, 16 bytes long.
Data: <Päe?ú > 50 E4 65 3F FA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FA3F677490, 16 bytes long.
Data: <(äe?ú > 28 E4 65 3F FA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FA3F671A10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001FA3F676FE0, 16 bytes long.
Data: < äe?ú > 00 E4 65 3F FA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FA3F65E400, 320 bytes long.
Data: <àog?ú g?ú > E0 6F 67 3F FA 01 00 00 10 1A 67 3F FA 01 00 00
{275} normal block at 0x000001FA3F6772B0, 16 bytes long.
Data: < kg?ú > 80 6B 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FA3F677210, 16 bytes long.
Data: <Xkg?ú > 58 6B 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FA3F671710, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001FA3F677080, 16 bytes long.
Data: <0kg?ú > 30 6B 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FA3F6715F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001FA3F6776C0, 16 bytes long.
Data: <xjg?ú > 78 6A 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FA3F6770D0, 16 bytes long.
Data: <Pjg?ú > 50 6A 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FA3F677C60, 16 bytes long.
Data: <(jg?ú > 28 6A 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FA3F6779E0, 16 bytes long.
Data: < jg?ú > 00 6A 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FA3F6774E0, 16 bytes long.
Data: <Øig?ú > D8 69 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FA3F671010, 16 bytes long.
Data: <°ig?ú > B0 69 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FA3F670E30, 16 bytes long.
Data: <peg?ú > 70 65 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FA3F676570, 40 bytes long.
Data: <0 g?ú PÌCAú > 30 0E 67 3F FA 01 00 00 50 CC 43 41 FA 01 00 00
{261} normal block at 0x000001FA3F6708E0, 16 bytes long.
Data: < ig?ú > 90 69 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FA3F670250, 16 bytes long.
Data: <hig?ú > 68 69 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FA3F6718F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001FA3F670890, 16 bytes long.
Data: <@ig?ú > 40 69 67 3F FA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FA3F676940, 992 bytes long.
Data: < g?ú ð g?ú > 90 08 67 3F FA 01 00 00 F0 18 67 3F FA 01 00 00
{93} normal block at 0x000001FA3F672010, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001FA3F670C00, 16 bytes long.
Data: <àÿf?ú > E0 FF 66 3F FA 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001FA3F66FFE0, 40 bytes long.
Data: < g?ú g?ú > 00 0C 67 3F FA 01 00 00 10 20 67 3F FA 01 00 00
{70} normal block at 0x000001FA3F670ED0, 16 bytes long.
Data: < êÅÌö > 80 EA C5 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FA3F6703E0, 16 bytes long.
Data: <@éÅÌö > 40 E9 C5 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FA3F670340, 16 bytes long.
Data: <øWÂÌö > F8 57 C2 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FA3F670750, 16 bytes long.
Data: <ØWÂÌö > D8 57 C2 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FA3F6702F0, 16 bytes long.
Data: <P ÂÌö > 50 04 C2 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FA3F670FC0, 16 bytes long.
Data: <0 ÂÌö > 30 04 C2 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FA3F6707A0, 16 bytes long.
Data: <à ÂÌö > E0 02 C2 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FA3F670570, 16 bytes long.
Data: < ÂÌö > 10 04 C2 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FA3F670D40, 16 bytes long.
Data: <p ÂÌö > 70 04 C2 CC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FA3F670AC0, 16 bytes long.
Data: < ÀÀÌö > 18 C0 C0 CC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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