Task 38661527
| Name | test_787-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND1956_0 |
| Workunit | 31604939 |
| Created | 24 Oct 2026, 15:53:41 UTC |
| Sent | 24 Oct 2026, 15:57:58 UTC |
| Report deadline | 29 Oct 2026, 15:57:58 UTC |
| Received | 24 Oct 2026, 19:14:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628466 |
| Run time | 58 min 23 sec |
| CPU time | 47 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 49,324.59 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.25 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:25:10 (16716): wrapper (7.9.26016): starting
09:25:10 (16716): 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
09:25:16 (16716): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:25:16 (16716): 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
10:25:38 (16716): C:/Windows/system32/cmd.exe exited; CPU time 2821.765625
10:25:38 (16716): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 46012587 bytes.
Dumping objects ->
{3835561} normal block at 0x000001C7E9DB7BA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835550} normal block at 0x000001C7E8204840, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835539} normal block at 0x000001C7E82048B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835528} normal block at 0x000001C7E8204C30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835517} normal block at 0x000001C7E8204A70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835486} normal block at 0x000001C7E9DC5AF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835475} normal block at 0x000001C7E9DDE1B0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835472} normal block at 0x000001C7E81FF370, 8 bytes long.
Data: < jèÇ > 00 00 6A E8 C7 01 00 00
{3834691} normal block at 0x000001C7E9DDED60, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000001C7E81FF550, 8 bytes long.
Data: <À6âéÇ > C0 36 E2 E9 C7 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001C7E8200760, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C7E81F6320, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001C7E8205580, 16 bytes long.
Data: <(g èÇ > 28 67 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001C7E8205530, 16 bytes long.
Data: < g èÇ > 00 67 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C7E81FF810, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001C7E82054E0, 16 bytes long.
Data: <Øf èÇ > D8 66 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C7E8205440, 16 bytes long.
Data: <°f èÇ > B0 66 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C7E8206160, 16 bytes long.
Data: < f èÇ > 88 66 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C7E8206070, 16 bytes long.
Data: <`f èÇ > 60 66 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C7E8204BC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001C7E8206390, 16 bytes long.
Data: <Xæ èÇ > 58 E6 1F E8 C7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C7E81FFE10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001C7E8205D50, 16 bytes long.
Data: <0æ èÇ > 30 E6 1F E8 C7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C7E8205F80, 16 bytes long.
Data: < æ èÇ > 08 E6 1F E8 C7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C7E8205800, 16 bytes long.
Data: <àå èÇ > E0 E5 1F E8 C7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C7E8205990, 16 bytes long.
Data: <¸å èÇ > B8 E5 1F E8 C7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C7E8205940, 16 bytes long.
Data: < å èÇ > 90 E5 1F E8 C7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C7E8205A80, 16 bytes long.
Data: <hå èÇ > 68 E5 1F E8 C7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C7E81FFDB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001C7E8205EE0, 16 bytes long.
Data: <@å èÇ > 40 E5 1F E8 C7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C7E81FE540, 320 bytes long.
Data: <à^ èÇ °ý èÇ > E0 5E 20 E8 C7 01 00 00 B0 FD 1F E8 C7 01 00 00
{277} normal block at 0x000001C7E8205C10, 16 bytes long.
Data: <@f èÇ > 40 66 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C7E82058F0, 16 bytes long.
Data: < f èÇ > 18 66 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C7E8200110, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001C7E82062A0, 16 bytes long.
Data: <ðe èÇ > F0 65 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C7E8200230, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001C7E8206250, 16 bytes long.
Data: <8e èÇ > 38 65 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C7E8205620, 16 bytes long.
Data: < e èÇ > 10 65 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C7E8205E90, 16 bytes long.
Data: <èd èÇ > E8 64 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C7E8206110, 16 bytes long.
Data: <Àd èÇ > C0 64 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C7E8205F30, 16 bytes long.
Data: < d èÇ > 98 64 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C7E8205CB0, 16 bytes long.
Data: <pd èÇ > 70 64 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C7E8205BC0, 16 bytes long.
Data: < I èÇ > 20 49 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C7E8204920, 40 bytes long.
Data: <À[ èÇ ðZÜéÇ > C0 5B 20 E8 C7 01 00 00 F0 5A DC E9 C7 01 00 00
{263} normal block at 0x000001C7E8205710, 16 bytes long.
Data: <Pd èÇ > 50 64 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C7E8206020, 16 bytes long.
Data: <(d èÇ > 28 64 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C7E81FFCF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001C7E82060C0, 16 bytes long.
Data: < d èÇ > 00 64 20 E8 C7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C7E8206400, 992 bytes long.
Data: <À` èÇ ðü èÇ > C0 60 20 E8 C7 01 00 00 F0 FC 1F E8 C7 01 00 00
{95} normal block at 0x000001C7E81FF750, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001C7E81FE830, 16 bytes long.
Data: < Ç èÇ > 90 C7 1E E8 C7 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001C7E81EC790, 40 bytes long.
Data: <0è èÇ P÷ èÇ > 30 E8 1F E8 C7 01 00 00 50 F7 1F E8 C7 01 00 00
{72} normal block at 0x000001C7E81FE920, 16 bytes long.
Data: < ê^~÷ > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C7E81FF190, 16 bytes long.
Data: <@é^~÷ > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C7E81FF2D0, 16 bytes long.
Data: <øW[~÷ > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C7E81FE8D0, 16 bytes long.
Data: <ØW[~÷ > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C7E81FEAB0, 16 bytes long.
Data: <P [~÷ > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C7E81FF280, 16 bytes long.
Data: <0 [~÷ > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C7E81FF4B0, 16 bytes long.
Data: <à [~÷ > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C7E81FEF10, 16 bytes long.
Data: < [~÷ > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C7E81FF230, 16 bytes long.
Data: <p [~÷ > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C7E81FE7E0, 16 bytes long.
Data: < ÀY~÷ > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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