Task 38697086

Name test_473-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6472_0
Workunit 31637685
Created 1 Nov 2026, 8:54:39 UTC
Sent 1 Nov 2026, 8:54:42 UTC
Report deadline 6 Nov 2026, 8:54:42 UTC
Received 1 Nov 2026, 9:17:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618370
Run time 22 min 26 sec
CPU time 20 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 85,528.11 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.64 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:55:50 (2308): wrapper (7.9.26016): starting
08:55:50 (2308): 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
08:55:51 (2308): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:55:51 (2308): 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 'D:\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 'D:\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
09:17:19 (2308): C:/Windows/system32/cmd.exe exited; CPU time 1253.656250
09:17:19 (2308): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 23617616 bytes.
Dumping objects ->
{3835226} normal block at 0x000002104F51ECE0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002104D7C69A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000002104D7C6F50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000002104D7C6B60, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000002104D7C6EE0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000002104F56AA30, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000002104F57F230, 85 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) : {3835137} normal block at 0x000002104D7BF710, 8 bytes long.
 Data: <  &#227;M    > 00 00 E3 4D 10 02 00 00 
{3834542} normal block at 0x000002104F57F0F0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002104D7BEA90, 8 bytes long.
 Data: < c|M    > 90 63 7C 4D 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002104D7C1410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002104D7B67A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002104D7C7570, 16 bytes long.
 Data: < &#132;|M            > 98 84 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002104D7C7340, 16 bytes long.
 Data: <p&#132;|M            > 70 84 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002104D7C02A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002104D7C77F0, 16 bytes long.
 Data: <H&#132;|M            > 48 84 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002104D7C74D0, 16 bytes long.
 Data: < &#132;|M            > 20 84 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002104D7C7700, 16 bytes long.
 Data: <&#248;&#131;|M            > F8 83 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002104D7C7610, 16 bytes long.
 Data: <&#208;&#131;|M            > D0 83 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002104D7C6CB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002104D7C7CA0, 16 bytes long.
 Data: <&#232;&#231;{M            > E8 E7 7B 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002104D7BFE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002104D7C7F70, 16 bytes long.
 Data: <&#192;&#231;{M            > C0 E7 7B 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002104D7C72F0, 16 bytes long.
 Data: < &#231;{M            > 98 E7 7B 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002104D7C8100, 16 bytes long.
 Data: <p&#231;{M            > 70 E7 7B 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002104D7C7D90, 16 bytes long.
 Data: <H&#231;{M            > 48 E7 7B 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002104D7C7660, 16 bytes long.
 Data: < &#231;{M            > 20 E7 7B 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002104D7C7520, 16 bytes long.
 Data: <&#248;&#230;{M            > F8 E6 7B 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002104D7BFB20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002104D7C80B0, 16 bytes long.
 Data: <&#208;&#230;{M            > D0 E6 7B 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002104D7BE6D0, 320 bytes long.
 Data: <&#176; |M     &#251;{M    > B0 80 7C 4D 10 02 00 00 20 FB 7B 4D 10 02 00 00 
{278} normal block at 0x000002104D7C7430, 16 bytes long.
 Data: <&#176;&#131;|M            > B0 83 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002104D7C7C00, 16 bytes long.
 Data: < &#131;|M            > 88 83 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002104D7BFFA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002104D7C7250, 16 bytes long.
 Data: <`&#131;|M            > 60 83 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002104D7C07E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002104D7C72A0, 16 bytes long.
 Data: <&#168;&#130;|M            > A8 82 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002104D7C7480, 16 bytes long.
 Data: < &#130;|M            > 80 82 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002104D7C75C0, 16 bytes long.
 Data: <X&#130;|M            > 58 82 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002104D7C7890, 16 bytes long.
 Data: <0&#130;|M            > 30 82 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002104D7C7D40, 16 bytes long.
 Data: < &#130;|M            > 08 82 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002104D7C7F20, 16 bytes long.
 Data: <&#224; |M            > E0 81 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002104D7C7ED0, 16 bytes long.
 Data: <0p|M            > 30 70 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002104D7C7030, 40 bytes long.
 Data: <&#208;~|M    0&#170;VO    > D0 7E 7C 4D 10 02 00 00 30 AA 56 4F 10 02 00 00 
{264} normal block at 0x000002104D7C7AC0, 16 bytes long.
 Data: <&#192; |M            > C0 81 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002104D7C77A0, 16 bytes long.
 Data: <  |M            > 98 81 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002104D7C05A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002104D7C7980, 16 bytes long.
 Data: <p |M            > 70 81 7C 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002104D7C8170, 992 bytes long.
 Data: < y|M    &#160; |M    > 80 79 7C 4D 10 02 00 00 A0 05 7C 4D 10 02 00 00 
{96} normal block at 0x000002104D7C0360, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002104D7BEEA0, 16 bytes long.
 Data: < &#240;zM            > 90 F0 7A 4D 10 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002104D7AF090, 40 bytes long.
 Data: <&#160;&#238;{M    ` |M    > A0 EE 7B 4D 10 02 00 00 60 03 7C 4D 10 02 00 00 
{73} normal block at 0x000002104D7BEF40, 16 bytes long.
 Data: < &#234;I&#185;&#246;           > 80 EA 49 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002104D7BEE00, 16 bytes long.
 Data: <@&#233;I&#185;&#246;           > 40 E9 49 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002104D7BF080, 16 bytes long.
 Data: <&#248;WF&#185;&#246;           > F8 57 46 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002104D7BF4E0, 16 bytes long.
 Data: <&#216;WF&#185;&#246;           > D8 57 46 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002104D7BEDB0, 16 bytes long.
 Data: <P F&#185;&#246;           > 50 04 46 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002104D7BF760, 16 bytes long.
 Data: <0 F&#185;&#246;           > 30 04 46 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002104D7BEB80, 16 bytes long.
 Data: <&#224; F&#185;&#246;           > E0 02 46 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002104D7BEB30, 16 bytes long.
 Data: <  F&#185;&#246;           > 10 04 46 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002104D7BF8F0, 16 bytes long.
 Data: <p F&#185;&#246;           > 70 04 46 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002104D7BF5D0, 16 bytes long.
 Data: < &#192;D&#185;&#246;           > 18 C0 44 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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