Task 38684228

Name test_242-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0592_0
Workunit 31625748
Created 27 Oct 2026, 15:19:20 UTC
Sent 27 Oct 2026, 15:19:27 UTC
Report deadline 1 Nov 2026, 15:19:27 UTC
Received 27 Oct 2026, 18:06:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607579
Run time 30 min 12 sec
CPU time 28 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.88 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:36:35 (25816): wrapper (7.9.26016): starting
18:36:35 (25816): 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
18:36:36 (25816): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:36:36 (25816): 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
19:05:57 (25816): C:/Windows/system32/cmd.exe exited; CPU time 1723.781250
19:05:57 (25816): 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: 41827321 bytes.
Dumping objects ->
{3835569} normal block at 0x000001E33FB549C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001E33FB548E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001E33DD750B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001E33DD74E10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001E33DD74D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001E33FAF4730, 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) : {3835481} normal block at 0x000001E33DD6F260, 8 bytes long.
 Data: <  />&#227;   > 00 00 2F 3E E3 01 00 00 
{3833967} normal block at 0x000001E33DD6F1C0, 8 bytes long.
 Data: <&#224;&#229;&#228;=&#227;   > E0 E5 E4 3D E3 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E33DD71B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001E33DD66E00, 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 0x000001E33DD75AB0, 16 bytes long.
 Data: <&#184;k&#215;=&#227;           > B8 6B D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E33DD765F0, 16 bytes long.
 Data: < k&#215;=&#227;           > 90 6B D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E33DD6D990, 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 0x000001E33DD76410, 16 bytes long.
 Data: <hk&#215;=&#227;           > 68 6B D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E33DD75EC0, 16 bytes long.
 Data: <@k&#215;=&#227;           > 40 6B D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E33DD767D0, 16 bytes long.
 Data: < k&#215;=&#227;           > 18 6B D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E33DD75DD0, 16 bytes long.
 Data: <&#240;j&#215;=&#227;           > F0 6A D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E33DD75120, 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 0x000001E33DD75A60, 16 bytes long.
 Data: <X&#246;&#213;=&#227;           > 58 F6 D5 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E33DD6D630, 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 0x000001E33DD76370, 16 bytes long.
 Data: <0&#246;&#213;=&#227;           > 30 F6 D5 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E33DD75BF0, 16 bytes long.
 Data: < &#246;&#213;=&#227;           > 08 F6 D5 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E33DD764B0, 16 bytes long.
 Data: <&#224;&#245;&#213;=&#227;           > E0 F5 D5 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E33DD75E70, 16 bytes long.
 Data: <&#184;&#245;&#213;=&#227;           > B8 F5 D5 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E33DD75B50, 16 bytes long.
 Data: < &#245;&#213;=&#227;           > 90 F5 D5 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E33DD75D80, 16 bytes long.
 Data: <h&#245;&#213;=&#227;           > 68 F5 D5 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E33DD6D5D0, 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 0x000001E33DD76780, 16 bytes long.
 Data: <@&#245;&#213;=&#227;           > 40 F5 D5 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E33DD5F540, 320 bytes long.
 Data: < g&#215;=&#227;   &#208;&#213;&#214;=&#227;   > 80 67 D7 3D E3 01 00 00 D0 D5 D6 3D E3 01 00 00 
{279} normal block at 0x000001E33DD75D30, 16 bytes long.
 Data: <&#208;j&#215;=&#227;           > D0 6A D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E33DD76000, 16 bytes long.
 Data: <&#168;j&#215;=&#227;           > A8 6A D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E33DD6E0B0, 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 0x000001E33DD75C40, 16 bytes long.
 Data: < j&#215;=&#227;           > 80 6A D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E33DD6DF30, 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 0x000001E33DD75E20, 16 bytes long.
 Data: <&#200;i&#215;=&#227;           > C8 69 D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E33DD759C0, 16 bytes long.
 Data: <&#160;i&#215;=&#227;           > A0 69 D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E33DD760F0, 16 bytes long.
 Data: <xi&#215;=&#227;           > 78 69 D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E33DD75920, 16 bytes long.
 Data: <Pi&#215;=&#227;           > 50 69 D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E33DD75A10, 16 bytes long.
 Data: <(i&#215;=&#227;           > 28 69 D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E33DD758D0, 16 bytes long.
 Data: < i&#215;=&#227;           > 00 69 D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E33DD75970, 16 bytes long.
 Data: <PL&#215;=&#227;           > 50 4C D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E33DD74C50, 40 bytes long.
 Data: <pY&#215;=&#227;   0G&#175;?&#227;   > 70 59 D7 3D E3 01 00 00 30 47 AF 3F E3 01 00 00 
{265} normal block at 0x000001E33DD75F10, 16 bytes long.
 Data: <&#224;h&#215;=&#227;           > E0 68 D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E33DD75BA0, 16 bytes long.
 Data: <&#184;h&#215;=&#227;           > B8 68 D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E33DD6D930, 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 0x000001E33DD76460, 16 bytes long.
 Data: < h&#215;=&#227;           > 90 68 D7 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E33DD76890, 992 bytes long.
 Data: <`d&#215;=&#227;   0&#217;&#214;=&#227;   > 60 64 D7 3D E3 01 00 00 30 D9 D6 3D E3 01 00 00 
{97} normal block at 0x000001E33DD6D690, 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 0x000001E33DD6F440, 16 bytes long.
 Data: < &#238;&#214;=&#227;           > 90 EE D6 3D E3 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001E33DD6EE90, 40 bytes long.
 Data: <@&#244;&#214;=&#227;    &#214;&#214;=&#227;   > 40 F4 D6 3D E3 01 00 00 90 D6 D6 3D E3 01 00 00 
{74} normal block at 0x000001E33DD6F030, 16 bytes long.
 Data: < &#234;&#191; &#247;           > 80 EA BF 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E33DD6F990, 16 bytes long.
 Data: <@&#233;&#191; &#247;           > 40 E9 BF 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E33DD6FDA0, 16 bytes long.
 Data: <&#248;W&#188; &#247;           > F8 57 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E33DD6F210, 16 bytes long.
 Data: <&#216;W&#188; &#247;           > D8 57 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E33DD6F580, 16 bytes long.
 Data: <P &#188; &#247;           > 50 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E33DD6F8A0, 16 bytes long.
 Data: <0 &#188; &#247;           > 30 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E33DD6FCB0, 16 bytes long.
 Data: <&#224; &#188; &#247;           > E0 02 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E33DD6F7B0, 16 bytes long.
 Data: <  &#188; &#247;           > 10 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E33DD6FDF0, 16 bytes long.
 Data: <p &#188; &#247;           > 70 04 BC 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E33DD6FD00, 16 bytes long.
 Data: < &#192;&#186; &#247;           > 18 C0 BA 01 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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