Task 38688329
| Name | test_591-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0893_0 |
| Workunit | 31629684 |
| Created | 28 Oct 2026, 13:09:29 UTC |
| Sent | 28 Oct 2026, 13:09:36 UTC |
| Report deadline | 2 Nov 2026, 13:09:36 UTC |
| Received | 28 Oct 2026, 13:39:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627058 |
| Run time | 25 min 34 sec |
| CPU time | 23 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,795.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 759.33 MB |
| Peak swap size | 12.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:12:58 (1596): wrapper (7.9.26016): starting
14:12:58 (1596): 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
14:12:59 (1596): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:12:59 (1596): 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\67\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\67\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
14:37:45 (1596): C:/Windows/system32/cmd.exe exited; CPU time 1398.812500
14:37:45 (1596): 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: 30516589 bytes.
Dumping objects ->
{3835524} normal block at 0x00000209DFA9DF50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835513} normal block at 0x00000209DFA9E3B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835502} normal block at 0x00000209DDC953B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835491} normal block at 0x00000209DDC95340, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x00000209DDC94EE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835449} normal block at 0x00000209DFAE9430, 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) : {3835436} normal block at 0x00000209DDC8D950, 8 bytes long.
Data: < Þ > 00 00 13 DE 09 02 00 00
{3833967} normal block at 0x00000209DDC8D900, 8 bytes long.
Data: <ÀåÖÝ > C0 E5 D6 DD 09 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000209DDC91BA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000209DDC86590, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000209DDC95D40, 16 bytes long.
Data: <ÈmÉÝ > C8 6D C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000209DDC95ED0, 16 bytes long.
Data: < mÉÝ > A0 6D C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000209DDC8F7D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000209DDC96150, 16 bytes long.
Data: <xmÉÝ > 78 6D C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000209DDC96100, 16 bytes long.
Data: <PmÉÝ > 50 6D C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000209DDC960B0, 16 bytes long.
Data: <(mÉÝ > 28 6D C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000209DDC96740, 16 bytes long.
Data: < mÉÝ > 00 6D C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000209DDC952D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000209DDC96600, 16 bytes long.
Data: <XñÈÝ > 58 F1 C8 DD 09 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000209DDC8F9B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000209DDC95C00, 16 bytes long.
Data: <0ñÈÝ > 30 F1 C8 DD 09 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000209DDC95B60, 16 bytes long.
Data: < ñÈÝ > 08 F1 C8 DD 09 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000209DDC962E0, 16 bytes long.
Data: <àðÈÝ > E0 F0 C8 DD 09 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000209DDC95D90, 16 bytes long.
Data: <¸ðÈÝ > B8 F0 C8 DD 09 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000209DDC96060, 16 bytes long.
Data: < ðÈÝ > 90 F0 C8 DD 09 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000209DDC96010, 16 bytes long.
Data: <hðÈÝ > 68 F0 C8 DD 09 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000209DDC8FC50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000209DDC96650, 16 bytes long.
Data: <@ðÈÝ > 40 F0 C8 DD 09 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000209DDC8F040, 320 bytes long.
Data: <PfÉÝ PüÈÝ > 50 66 C9 DD 09 02 00 00 50 FC C8 DD 09 02 00 00
{279} normal block at 0x00000209DDC965B0, 16 bytes long.
Data: <àlÉÝ > E0 6C C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000209DDC96290, 16 bytes long.
Data: <¸lÉÝ > B8 6C C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000209DDC8F410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000209DDC95FC0, 16 bytes long.
Data: < lÉÝ > 90 6C C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000209DDC8FE90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000209DDC95930, 16 bytes long.
Data: <ØkÉÝ > D8 6B C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000209DDC95CA0, 16 bytes long.
Data: <°kÉÝ > B0 6B C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000209DDC96560, 16 bytes long.
Data: < kÉÝ > 88 6B C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000209DDC95A70, 16 bytes long.
Data: <`kÉÝ > 60 6B C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000209DDC95C50, 16 bytes long.
Data: <8kÉÝ > 38 6B C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000209DDC96240, 16 bytes long.
Data: < kÉÝ > 10 6B C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000209DDC966A0, 16 bytes long.
Data: <0PÉÝ > 30 50 C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000209DDC95030, 40 bytes long.
Data: < fÉÝ 0”®ß > A0 66 C9 DD 09 02 00 00 30 94 AE DF 09 02 00 00
{265} normal block at 0x00000209DDC964C0, 16 bytes long.
Data: <ðjÉÝ > F0 6A C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000209DDC95B10, 16 bytes long.
Data: <ÈjÉÝ > C8 6A C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000209DDC8F290, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000209DDC95AC0, 16 bytes long.
Data: < jÉÝ > A0 6A C9 DD 09 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000209DDC96AA0, 992 bytes long.
Data: <ÀZÉÝ òÈÝ > C0 5A C9 DD 09 02 00 00 90 F2 C8 DD 09 02 00 00
{97} normal block at 0x00000209DDC8F2F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000209DDC8DD60, 16 bytes long.
Data: < ßÇÝ > A0 DF C7 DD 09 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000209DDC7DFA0, 40 bytes long.
Data: <`ÝÈÝ ðòÈÝ > 60 DD C8 DD 09 02 00 00 F0 F2 C8 DD 09 02 00 00
{74} normal block at 0x00000209DDC8E080, 16 bytes long.
Data: < ê¼òö > 80 EA BC F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000209DDC8D810, 16 bytes long.
Data: <@é¼òö > 40 E9 BC F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000209DDC8DD10, 16 bytes long.
Data: <øW¹òö > F8 57 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000209DDC8D720, 16 bytes long.
Data: <ØW¹òö > D8 57 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000209DDC8E3A0, 16 bytes long.
Data: <P ¹òö > 50 04 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000209DDC8E260, 16 bytes long.
Data: <0 ¹òö > 30 04 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000209DDC8E350, 16 bytes long.
Data: <à ¹òö > E0 02 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000209DDC8DB80, 16 bytes long.
Data: < ¹òö > 10 04 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000209DDC8D770, 16 bytes long.
Data: <p ¹òö > 70 04 B9 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000209DDC8E620, 16 bytes long.
Data: < À·òö > 18 C0 B7 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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