Task 38670788

Name test_749-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1962_0
Workunit 31613016
Created 25 Oct 2026, 18:36:03 UTC
Sent 25 Oct 2026, 18:36:09 UTC
Report deadline 30 Oct 2026, 18:36:09 UTC
Received 25 Oct 2026, 19:24:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624458
Run time 19 min 29 sec
CPU time 19 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,355.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.93 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:04:51 (4560): wrapper (7.9.26016): starting
15:04:51 (4560): 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
15:04:52 (4560): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:04:52 (4560): 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
15:23:40 (4560): C:/Windows/system32/cmd.exe exited; CPU time 1161.796875
15:23:40 (4560): 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: 15823603 bytes.
Dumping objects ->
{3835562} normal block at 0x000001815A3AB4F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x000001815A3AB800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x000001815A3AB2C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835529} normal block at 0x000001815A3AB250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x000001815A3AB090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835487} normal block at 0x000001815A3A9F40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x000001815C0DE3B0, 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) : {3835473} normal block at 0x000001815A37F380, 8 bytes long.
 Data: <  0Z    > 00 00 30 5A 81 01 00 00 
{3834695} normal block at 0x000001815C0DE880, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000001815A37EFC0, 8 bytes long.
 Data: <&#208;H \    > D0 48 12 5C 81 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001815A381760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001815A376860, 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 0x000001815A385FD0, 16 bytes long.
 Data: <&#168;W8Z            > A8 57 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001815A386390, 16 bytes long.
 Data: < W8Z            > 80 57 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001815A37FC30, 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 0x000001815A385EE0, 16 bytes long.
 Data: <XW8Z            > 58 57 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001815A3866B0, 16 bytes long.
 Data: <0W8Z            > 30 57 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001815A3865C0, 16 bytes long.
 Data: < W8Z            > 08 57 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001815A386340, 16 bytes long.
 Data: <&#224;V8Z            > E0 56 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001815A383B90, 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 0x000001815A385C10, 16 bytes long.
 Data: <&#232;&#182;6Z            > E8 B6 36 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001815A380290, 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 0x000001815A3863E0, 16 bytes long.
 Data: <&#192;&#182;6Z            > C0 B6 36 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001815A385940, 16 bytes long.
 Data: < &#182;6Z            > 98 B6 36 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001815A385BC0, 16 bytes long.
 Data: <p&#182;6Z            > 70 B6 36 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001815A386200, 16 bytes long.
 Data: <H&#182;6Z            > 48 B6 36 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001815A386610, 16 bytes long.
 Data: < &#182;6Z            > 20 B6 36 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001815A3864D0, 16 bytes long.
 Data: <&#248;&#181;6Z            > F8 B5 36 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001815A380710, 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 0x000001815A386070, 16 bytes long.
 Data: <&#208;&#181;6Z            > D0 B5 36 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001815A36B5D0, 320 bytes long.
 Data: <p`8Z      8Z    > 70 60 38 5A 81 01 00 00 10 07 38 5A 81 01 00 00 
{279} normal block at 0x000001815A386110, 16 bytes long.
 Data: <&#192;V8Z            > C0 56 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001815A3867F0, 16 bytes long.
 Data: < V8Z            > 98 56 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001815A380410, 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 0x000001815A385F80, 16 bytes long.
 Data: <pV8Z            > 70 56 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001815A37FFF0, 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 0x000001815A385B20, 16 bytes long.
 Data: <&#184;U8Z            > B8 55 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001815A385E90, 16 bytes long.
 Data: < U8Z            > 90 55 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001815A3860C0, 16 bytes long.
 Data: <hU8Z            > 68 55 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001815A386660, 16 bytes long.
 Data: <@U8Z            > 40 55 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001815A385F30, 16 bytes long.
 Data: < U8Z            > 18 55 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001815A37F880, 16 bytes long.
 Data: <&#240;T8Z            > F0 54 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001815A37F830, 16 bytes long.
 Data: <&#240;88Z            > F0 38 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001815A3838F0, 40 bytes long.
 Data: <0&#248;7Z    @&#159;:Z    > 30 F8 37 5A 81 01 00 00 40 9F 3A 5A 81 01 00 00 
{265} normal block at 0x000001815A37F740, 16 bytes long.
 Data: <&#208;T8Z            > D0 54 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001815A37F010, 16 bytes long.
 Data: <&#168;T8Z            > A8 54 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001815A380230, 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 0x000001815A37EF20, 16 bytes long.
 Data: < T8Z            > 80 54 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001815A385480, 992 bytes long.
 Data: < &#239;7Z    0 8Z    > 20 EF 37 5A 81 01 00 00 30 02 38 5A 81 01 00 00 
{97} normal block at 0x000001815A380050, 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 0x000001815A37F420, 16 bytes long.
 Data: <`98Z            > 60 39 38 5A 81 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001815A383960, 40 bytes long.
 Data: < &#244;7Z    P 8Z    > 20 F4 37 5A 81 01 00 00 50 00 38 5A 81 01 00 00 
{74} normal block at 0x000001815A37EF70, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001815A37F7E0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001815A37EE80, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001815A37F1F0, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001815A37ED90, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001815A37EC50, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001815A37E9D0, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001815A37F560, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001815A37F060, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001815A37F100, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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