Task 38668053

Name test_119-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3550_0
Workunit 31610616
Created 25 Oct 2026, 10:30:24 UTC
Sent 25 Oct 2026, 10:30:30 UTC
Report deadline 30 Oct 2026, 10:30:30 UTC
Received 25 Oct 2026, 11:32:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549972
Run time 56 min 18 sec
CPU time 51 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,466.33 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.76 MB
Peak swap size 5.23 GB
Peak disk usage 3.58 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:39:13 (7268): wrapper (7.9.26016): starting
03:39:13 (7268): 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
03:39:16 (7268): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:39:16 (7268): 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:\Test\BOINC\ProgramData\slots\5\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:\Test\BOINC\ProgramData\slots\5\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
04:31:47 (7268): C:/Windows/system32/cmd.exe exited; CPU time 3108.875000
04:31:47 (7268): called boinc_finish(0)
0 bytes in 0 Free Blocks.
592 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: 36315733 bytes.
Dumping objects ->
{3835225} normal block at 0x000001ADE6E5B720, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835214} normal block at 0x000001ADE535FE50, 48 bytes long.
 Data: <HOME=C:\Test\BOI> 48 4F 4D 45 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835203} normal block at 0x000001ADE535F9F0, 48 bytes long.
 Data: <TMP=C:\Test\BOIN> 54 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 4E 
{3835192} normal block at 0x000001ADE535FDE0, 48 bytes long.
 Data: <TEMP=C:\Test\BOI> 54 45 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835181} normal block at 0x000001ADE535F830, 48 bytes long.
 Data: <TMPDIR=C:\Test\B> 54 4D 50 44 49 52 3D 43 3A 5C 54 65 73 74 5C 42 
{3835150} normal block at 0x000001ADE6E5BCA0, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835139} normal block at 0x000001ADE6F45660, 160 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) : {3835136} normal block at 0x000001ADE5356610, 8 bytes long.
 Data: <  &#213;&#230;&#173;   > 00 00 D5 E6 AD 01 00 00 
{3834541} normal block at 0x000001ADE6F45900, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001ADE5357330, 8 bytes long.
 Data: < l&#244;&#230;&#173;   > 00 6C F4 E6 AD 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001ADE5360270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001ADE534AC00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001ADE5361AD0, 16 bytes long.
 Data: <&#168;96&#229;&#173;           > A8 39 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ADE53619E0, 16 bytes long.
 Data: < 96&#229;&#173;           > 80 39 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001ADE535D070, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001ADE5362020, 16 bytes long.
 Data: <X96&#229;&#173;           > 58 39 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ADE5362200, 16 bytes long.
 Data: <096&#229;&#173;           > 30 39 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ADE5361F80, 16 bytes long.
 Data: < 96&#229;&#173;           > 08 39 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ADE5361990, 16 bytes long.
 Data: <&#224;86&#229;&#173;           > E0 38 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ADE535FEC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001ADE5361C10, 16 bytes long.
 Data: < &#188;4&#229;&#173;           > 98 BC 34 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ADE535CCB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001ADE53617B0, 16 bytes long.
 Data: <p&#188;4&#229;&#173;           > 70 BC 34 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ADE5361710, 16 bytes long.
 Data: <H&#188;4&#229;&#173;           > 48 BC 34 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ADE5361BC0, 16 bytes long.
 Data: < &#188;4&#229;&#173;           > 20 BC 34 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ADE5361850, 16 bytes long.
 Data: <&#248;&#187;4&#229;&#173;           > F8 BB 34 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ADE5361490, 16 bytes long.
 Data: <&#208;&#187;4&#229;&#173;           > D0 BB 34 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ADE5361670, 16 bytes long.
 Data: <&#168;&#187;4&#229;&#173;           > A8 BB 34 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ADE535D550, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001ADE53621B0, 16 bytes long.
 Data: < &#187;4&#229;&#173;           > 80 BB 34 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ADE534BB80, 320 bytes long.
 Data: <&#176;!6&#229;&#173;   P&#213;5&#229;&#173;   > B0 21 36 E5 AD 01 00 00 50 D5 35 E5 AD 01 00 00 
{273} normal block at 0x000001ADE5361760, 16 bytes long.
 Data: <&#192;86&#229;&#173;           > C0 38 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ADE53614E0, 16 bytes long.
 Data: < 86&#229;&#173;           > 98 38 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001ADE535D6D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001ADE5361440, 16 bytes long.
 Data: <p86&#229;&#173;           > 70 38 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ADE535D4F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001ADE5361940, 16 bytes long.
 Data: <&#184;76&#229;&#173;           > B8 37 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ADE5361A80, 16 bytes long.
 Data: < 76&#229;&#173;           > 90 37 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ADE5361B70, 16 bytes long.
 Data: <h76&#229;&#173;           > 68 37 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ADE53616C0, 16 bytes long.
 Data: <@76&#229;&#173;           > 40 37 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ADE5361CB0, 16 bytes long.
 Data: < 76&#229;&#173;           > 18 37 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ADE53613F0, 16 bytes long.
 Data: <&#240;66&#229;&#173;           > F0 36 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ADE5361580, 16 bytes long.
 Data: <&#176;&#251;5&#229;&#173;           > B0 FB 35 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ADE535FBB0, 40 bytes long.
 Data: <  6&#229;&#173;   &#160;&#188;&#229;&#230;&#173;   > 80 15 36 E5 AD 01 00 00 A0 BC E5 E6 AD 01 00 00 
{259} normal block at 0x000001ADE5361620, 16 bytes long.
 Data: <&#208;66&#229;&#173;           > D0 36 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ADE5362160, 16 bytes long.
 Data: <&#168;66&#229;&#173;           > A8 36 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001ADE535D670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001ADE5361350, 16 bytes long.
 Data: < 66&#229;&#173;           > 80 36 36 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001ADE5363680, 992 bytes long.
 Data: <P 6&#229;&#173;   p&#214;5&#229;&#173;   > 50 13 36 E5 AD 01 00 00 70 D6 35 E5 AD 01 00 00 
{91} normal block at 0x000001ADE535CBF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001ADE5356AC0, 16 bytes long.
 Data: <`&#250;5&#229;&#173;           > 60 FA 35 E5 AD 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001ADE535FA60, 40 bytes long.
 Data: <&#192;j5&#229;&#173;   &#240;&#203;5&#229;&#173;   > C0 6A 35 E5 AD 01 00 00 F0 CB 35 E5 AD 01 00 00 
{68} normal block at 0x000001ADE5356D40, 16 bytes long.
 Data: < &#234;&#253;u&#247;           > 80 EA FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ADE5356DE0, 16 bytes long.
 Data: <@&#233;&#253;u&#247;           > 40 E9 FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ADE5357150, 16 bytes long.
 Data: <&#248;W&#250;u&#247;           > F8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ADE53565C0, 16 bytes long.
 Data: <&#216;W&#250;u&#247;           > D8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ADE53566B0, 16 bytes long.
 Data: <P &#250;u&#247;           > 50 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ADE5356980, 16 bytes long.
 Data: <0 &#250;u&#247;           > 30 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ADE5357100, 16 bytes long.
 Data: <&#224; &#250;u&#247;           > E0 02 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ADE5356F70, 16 bytes long.
 Data: <  &#250;u&#247;           > 10 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ADE5356930, 16 bytes long.
 Data: <p &#250;u&#247;           > 70 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001ADE53570B0, 16 bytes long.
 Data: < &#192;&#248;u&#247;           > 18 C0 F8 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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