Task 38686639

Name test_524-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND3977_0
Workunit 31628064
Created 28 Oct 2026, 3:39:15 UTC
Sent 28 Oct 2026, 3:39:19 UTC
Report deadline 2 Nov 2026, 3:39:19 UTC
Received 28 Oct 2026, 4:00:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 20 min 20 sec
CPU time 16 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 807.02 MB
Peak swap size 10.08 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:40:13 (28688): wrapper (7.9.26016): starting
04:40:13 (28688): 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
04:40:14 (28688): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:40:14 (28688): 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\24\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\24\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
04:59:50 (28688): C:/Windows/system32/cmd.exe exited; CPU time 1006.515625
04:59:50 (28688): 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: 27285204 bytes.
Dumping objects ->
{3835471} normal block at 0x000001E1BE78E270, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001E1BE78EC10, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x000001E1BCAD5E50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x000001E1BCAD5D70, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x000001E1BCAD5DE0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x000001E1BE7DB190, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x000001E1BE7EE3F0, 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) : {3835382} normal block at 0x000001E1BCACE7D0, 8 bytes long.
 Data: <  &#236;&#188;&#225;   > 00 00 EC BC E1 01 00 00 
{3834663} normal block at 0x000001E1BE7EEAD0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001E1BCACEAA0, 8 bytes long.
 Data: <&#208;Z&#134;&#190;&#225;   > D0 5A 86 BE E1 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E1BCAD1EE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E1BCAC6F30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001E1BCAD6CE0, 16 bytes long.
 Data: < v&#173;&#188;&#225;           > 18 76 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E1BCAD6470, 16 bytes long.
 Data: <&#240;u&#173;&#188;&#225;           > F0 75 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E1BCACF9D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001E1BCAD6E70, 16 bytes long.
 Data: <&#200;u&#173;&#188;&#225;           > C8 75 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E1BCAD6510, 16 bytes long.
 Data: <&#160;u&#173;&#188;&#225;           > A0 75 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E1BCAD6A60, 16 bytes long.
 Data: <xu&#173;&#188;&#225;           > 78 75 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E1BCAD6330, 16 bytes long.
 Data: <Pu&#173;&#188;&#225;           > 50 75 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E1BCAD5EC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001E1BCAD7000, 16 bytes long.
 Data: < `&#173;&#188;&#225;           > 98 60 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E1BCACF910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001E1BCAD6C40, 16 bytes long.
 Data: <p`&#173;&#188;&#225;           > 70 60 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E1BCAD64C0, 16 bytes long.
 Data: <H`&#173;&#188;&#225;           > 48 60 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E1BCAD6880, 16 bytes long.
 Data: < `&#173;&#188;&#225;           > 20 60 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E1BCAD6BA0, 16 bytes long.
 Data: <&#248;_&#173;&#188;&#225;           > F8 5F AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E1BCAD7230, 16 bytes long.
 Data: <&#208;_&#173;&#188;&#225;           > D0 5F AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E1BCAD6380, 16 bytes long.
 Data: <&#168;_&#173;&#188;&#225;           > A8 5F AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E1BCAD0750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001E1BCAD6BF0, 16 bytes long.
 Data: < _&#173;&#188;&#225;           > 80 5F AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E1BCAD5F80, 320 bytes long.
 Data: <&#240;k&#173;&#188;&#225;   P &#173;&#188;&#225;   > F0 6B AD BC E1 01 00 00 50 07 AD BC E1 01 00 00 
{280} normal block at 0x000001E1BCAD6F10, 16 bytes long.
 Data: <0u&#173;&#188;&#225;           > 30 75 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E1BCAD65B0, 16 bytes long.
 Data: < u&#173;&#188;&#225;           > 08 75 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E1BCAD06F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001E1BCAD6B00, 16 bytes long.
 Data: <&#224;t&#173;&#188;&#225;           > E0 74 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E1BCAD0690, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001E1BCAD6D30, 16 bytes long.
 Data: <(t&#173;&#188;&#225;           > 28 74 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E1BCAD6E20, 16 bytes long.
 Data: < t&#173;&#188;&#225;           > 00 74 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E1BCAD6600, 16 bytes long.
 Data: <&#216;s&#173;&#188;&#225;           > D8 73 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E1BCAD6970, 16 bytes long.
 Data: <&#176;s&#173;&#188;&#225;           > B0 73 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E1BCAD70F0, 16 bytes long.
 Data: < s&#173;&#188;&#225;           > 88 73 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E1BCAD6B50, 16 bytes long.
 Data: <`s&#173;&#188;&#225;           > 60 73 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E1BCAD6420, 16 bytes long.
 Data: <&#208;Z&#173;&#188;&#225;           > D0 5A AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E1BCAD5AD0, 40 bytes long.
 Data: < d&#173;&#188;&#225;    &#177;}&#190;&#225;   > 20 64 AD BC E1 01 00 00 90 B1 7D BE E1 01 00 00 
{266} normal block at 0x000001E1BCAD7280, 16 bytes long.
 Data: <@s&#173;&#188;&#225;           > 40 73 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E1BCAD71E0, 16 bytes long.
 Data: < s&#173;&#188;&#225;           > 18 73 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E1BCAD0570, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001E1BCAD6F60, 16 bytes long.
 Data: <&#240;r&#173;&#188;&#225;           > F0 72 AD BC E1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E1BCAD72F0, 992 bytes long.
 Data: <`o&#173;&#188;&#225;   p &#173;&#188;&#225;   > 60 6F AD BC E1 01 00 00 70 05 AD BC E1 01 00 00 
{98} normal block at 0x000001E1BCAD00F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001E1BCACE640, 16 bytes long.
 Data: < &#196;&#171;&#188;&#225;           > 80 C4 AB BC E1 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001E1BCABC480, 40 bytes long.
 Data: <@&#230;&#172;&#188;&#225;   &#240; &#173;&#188;&#225;   > 40 E6 AC BC E1 01 00 00 F0 00 AD BC E1 01 00 00 
{75} normal block at 0x000001E1BCACE0F0, 16 bytes long.
 Data: < &#234;&&#191;&#247;           > 80 EA 26 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E1BCACE5F0, 16 bytes long.
 Data: <@&#233;&&#191;&#247;           > 40 E9 26 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E1BCACE5A0, 16 bytes long.
 Data: <&#248;W#&#191;&#247;           > F8 57 23 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E1BCACE8C0, 16 bytes long.
 Data: <&#216;W#&#191;&#247;           > D8 57 23 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E1BCACEAF0, 16 bytes long.
 Data: <P #&#191;&#247;           > 50 04 23 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E1BCACDFB0, 16 bytes long.
 Data: <0 #&#191;&#247;           > 30 04 23 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E1BCACE780, 16 bytes long.
 Data: <&#224; #&#191;&#247;           > E0 02 23 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E1BCACE0A0, 16 bytes long.
 Data: <  #&#191;&#247;           > 10 04 23 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E1BCACEE10, 16 bytes long.
 Data: <p #&#191;&#247;           > 70 04 23 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E1BCACE4B0, 16 bytes long.
 Data: < &#192;!&#191;&#247;           > 18 C0 21 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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