Task 38670346

Name test_502-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND4577_0
Workunit 31612601
Created 25 Oct 2026, 17:14:21 UTC
Sent 25 Oct 2026, 17:14:26 UTC
Report deadline 30 Oct 2026, 17:14:26 UTC
Received 25 Oct 2026, 18:01:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 37 min 28 sec
CPU time 35 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 797.56 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:24:47 (24460): wrapper (7.9.26016): starting
13:24:47 (24460): 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
13:24:48 (24460): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:24:48 (24460): 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\4\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\4\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
14:01:34 (24460): C:/Windows/system32/cmd.exe exited; CPU time 2147.078125
14:01:34 (24460): 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: 33947307 bytes.
Dumping objects ->
{3835479} normal block at 0x000001F4858376A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001F485837A20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001F485837630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x000001F4858379B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x000001F4858378D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x000001F487649940, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000001F4876603D0, 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) : {3835390} normal block at 0x000001F485832300, 8 bytes long.
 Data: <  &#227;&#133;&#244;   > 00 00 E3 85 F4 01 00 00 
{3834663} normal block at 0x000001F487660F80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001F485832C60, 8 bytes long.
 Data: <&#240;nj&#135;&#244;   > F0 6E 6A 87 F4 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F485833FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F485829230, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001F485838340, 16 bytes long.
 Data: <X &#131;&#133;&#244;           > 58 0A 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F4858385C0, 16 bytes long.
 Data: <0 &#131;&#133;&#244;           > 30 0A 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F485830FA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001F4858388E0, 16 bytes long.
 Data: <  &#131;&#133;&#244;           > 08 0A 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F485838070, 16 bytes long.
 Data: <&#224;	&#131;&#133;&#244;           > E0 09 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F4858382F0, 16 bytes long.
 Data: <&#184;	&#131;&#133;&#244;           > B8 09 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F485838480, 16 bytes long.
 Data: < 	&#131;&#133;&#244;           > 90 09 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F485837B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001F485838250, 16 bytes long.
 Data: <&#200;&#184;&#130;&#133;&#244;           > C8 B8 82 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F485831420, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001F485837F30, 16 bytes long.
 Data: <&#160;&#184;&#130;&#133;&#244;           > A0 B8 82 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F485837EE0, 16 bytes long.
 Data: <x&#184;&#130;&#133;&#244;           > 78 B8 82 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F485838570, 16 bytes long.
 Data: <P&#184;&#130;&#133;&#244;           > 50 B8 82 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F485838020, 16 bytes long.
 Data: <(&#184;&#130;&#133;&#244;           > 28 B8 82 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F4858382A0, 16 bytes long.
 Data: < &#184;&#130;&#133;&#244;           > 00 B8 82 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F485838AC0, 16 bytes long.
 Data: <&#216;&#183;&#130;&#133;&#244;           > D8 B7 82 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F485830E20, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{274} normal block at 0x000001F485837C10, 16 bytes long.
 Data: <&#176;&#183;&#130;&#133;&#244;           > B0 B7 82 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F48582B7B0, 320 bytes long.
 Data: < |&#131;&#133;&#244;     &#131;&#133;&#244;   > 10 7C 83 85 F4 01 00 00 20 0E 83 85 F4 01 00 00 
{272} normal block at 0x000001F485838A70, 16 bytes long.
 Data: <p	&#131;&#133;&#244;           > 70 09 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F4858387F0, 16 bytes long.
 Data: <H	&#131;&#133;&#244;           > 48 09 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F4858317E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001F485838200, 16 bytes long.
 Data: < 	&#131;&#133;&#244;           > 20 09 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F485831480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001F485837D50, 16 bytes long.
 Data: <h &#131;&#133;&#244;           > 68 08 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F485838160, 16 bytes long.
 Data: <@ &#131;&#133;&#244;           > 40 08 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F485838700, 16 bytes long.
 Data: <  &#131;&#133;&#244;           > 18 08 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F485838980, 16 bytes long.
 Data: <&#240; &#131;&#133;&#244;           > F0 07 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F485832B20, 16 bytes long.
 Data: <&#200; &#131;&#133;&#244;           > C8 07 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F485832AD0, 16 bytes long.
 Data: <&#160; &#131;&#133;&#244;           > A0 07 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F485832990, 16 bytes long.
 Data: <&#224;t&#131;&#133;&#244;           > E0 74 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F4858374E0, 40 bytes long.
 Data: < )&#131;&#133;&#244;   @ d&#135;&#244;   > 90 29 83 85 F4 01 00 00 40 99 64 87 F4 01 00 00 
{258} normal block at 0x000001F485832120, 16 bytes long.
 Data: <  &#131;&#133;&#244;           > 80 07 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F485832850, 16 bytes long.
 Data: <X &#131;&#133;&#244;           > 58 07 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F4858319C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001F485832490, 16 bytes long.
 Data: <0 &#131;&#133;&#244;           > 30 07 83 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F485830730, 992 bytes long.
 Data: < $&#131;&#133;&#244;   &#192; &#131;&#133;&#244;   > 90 24 83 85 F4 01 00 00 C0 19 83 85 F4 01 00 00 
{90} normal block at 0x000001F485830D60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001F485832030, 16 bytes long.
 Data: < &#255; &#133;&#244;           > 10 FF 81 85 F4 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001F48581FF10, 40 bytes long.
 Data: <0 &#131;&#133;&#244;   ` &#131;&#133;&#244;   > 30 20 83 85 F4 01 00 00 60 0D 83 85 F4 01 00 00 
{67} normal block at 0x000001F485832210, 16 bytes long.
 Data: < &#234;&#238;&#173;&#246;           > 80 EA EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F485832B70, 16 bytes long.
 Data: <@&#233;&#238;&#173;&#246;           > 40 E9 EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F485831FE0, 16 bytes long.
 Data: <&#248;W&#235;&#173;&#246;           > F8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F485832760, 16 bytes long.
 Data: <&#216;W&#235;&#173;&#246;           > D8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F485832350, 16 bytes long.
 Data: <P &#235;&#173;&#246;           > 50 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F4858326C0, 16 bytes long.
 Data: <0 &#235;&#173;&#246;           > 30 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F485832530, 16 bytes long.
 Data: <&#224; &#235;&#173;&#246;           > E0 02 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F485832BC0, 16 bytes long.
 Data: <  &#235;&#173;&#246;           > 10 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F4858324E0, 16 bytes long.
 Data: <p &#235;&#173;&#246;           > 70 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F485831DB0, 16 bytes long.
 Data: < &#192;&#233;&#173;&#246;           > 18 C0 E9 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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