Task 38696674

Name test_469-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7570_0
Workunit 31637295
Created 1 Nov 2026, 3:14:08 UTC
Sent 1 Nov 2026, 3:14:13 UTC
Report deadline 6 Nov 2026, 3:14:13 UTC
Received 1 Nov 2026, 4:36:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 194031
Run time 34 min 1 sec
CPU time 32 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 678.20 MB
Peak swap size 3.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:02:37 (14028): wrapper (7.9.26016): starting
00:02:37 (14028): 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
00:02:39 (14028): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:02:39 (14028): 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\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 'C:\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
00:35:11 (14028): C:/Windows/system32/cmd.exe exited; CPU time 1920.453125
00:35:11 (14028): 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: 28997979 bytes.
Dumping objects ->
{3835200} normal block at 0x00000230869E68E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000230869E6B10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835178} normal block at 0x00000230869E7130, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835167} normal block at 0x00000230869E7280, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835156} normal block at 0x00000230869E7210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835125} normal block at 0x000002308849C7A0, 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) : {3835112} normal block at 0x00000230869B6F90, 8 bytes long.
 Data: <   &#134;0   > 00 00 98 86 30 02 00 00 
{3833955} normal block at 0x00000230869B6E50, 8 bytes long.
 Data: <`rS 0   > 60 72 53 88 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000230869C0D40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000230869A62D0, 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 0x00000230869C2960, 16 bytes long.
 Data: <HB&#156;&#134;0           > 48 42 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000230869C2460, 16 bytes long.
 Data: < B&#156;&#134;0           > 20 42 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000230869BC5F0, 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 0x00000230869C2000, 16 bytes long.
 Data: <&#248;A&#156;&#134;0           > F8 41 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000230869C24B0, 16 bytes long.
 Data: <&#208;A&#156;&#134;0           > D0 41 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000230869C2550, 16 bytes long.
 Data: <&#168;A&#156;&#134;0           > A8 41 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000230869C1FB0, 16 bytes long.
 Data: < A&#156;&#134;0           > 80 41 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000230869BDD50, 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 0x00000230869C2230, 16 bytes long.
 Data: <hb&#154;&#134;0           > 68 62 9A 86 30 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000230869BBD50, 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 0x00000230869C2820, 16 bytes long.
 Data: <@b&#154;&#134;0           > 40 62 9A 86 30 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000230869C1BF0, 16 bytes long.
 Data: < b&#154;&#134;0           > 18 62 9A 86 30 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000230869C21E0, 16 bytes long.
 Data: <&#240;a&#154;&#134;0           > F0 61 9A 86 30 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000230869C2320, 16 bytes long.
 Data: <&#200;a&#154;&#134;0           > C8 61 9A 86 30 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000230869C2910, 16 bytes long.
 Data: <&#160;a&#154;&#134;0           > A0 61 9A 86 30 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000230869C1F60, 16 bytes long.
 Data: <xa&#154;&#134;0           > 78 61 9A 86 30 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000230869BC590, 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 0x00000230869C1B50, 16 bytes long.
 Data: <Pa&#154;&#134;0           > 50 61 9A 86 30 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000230869A6150, 320 bytes long.
 Data: <P &#156;&#134;0    &#197;&#155;&#134;0   > 50 1B 9C 86 30 02 00 00 90 C5 9B 86 30 02 00 00 
{273} normal block at 0x00000230869C1F10, 16 bytes long.
 Data: <`A&#156;&#134;0           > 60 41 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000230869C2500, 16 bytes long.
 Data: <8A&#156;&#134;0           > 38 41 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000230869BBF90, 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 0x00000230869C1E20, 16 bytes long.
 Data: < A&#156;&#134;0           > 10 41 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000230869BC0B0, 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 0x00000230869C1CE0, 16 bytes long.
 Data: <X@&#156;&#134;0           > 58 40 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000230869C1DD0, 16 bytes long.
 Data: <0@&#156;&#134;0           > 30 40 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000230869C1E70, 16 bytes long.
 Data: < @&#156;&#134;0           > 08 40 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000230869C25A0, 16 bytes long.
 Data: <&#224;?&#156;&#134;0           > E0 3F 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000230869C1BA0, 16 bytes long.
 Data: <&#184;?&#156;&#134;0           > B8 3F 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000230869C2AA0, 16 bytes long.
 Data: < ?&#156;&#134;0           > 90 3F 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000230869C2410, 16 bytes long.
 Data: <p&#227;&#155;&#134;0           > 70 E3 9B 86 30 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000230869BE370, 40 bytes long.
 Data: < $&#156;&#134;0   &#160;&#199;I 0   > 10 24 9C 86 30 02 00 00 A0 C7 49 88 30 02 00 00 
{259} normal block at 0x00000230869C27D0, 16 bytes long.
 Data: <p?&#156;&#134;0           > 70 3F 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000230869C2780, 16 bytes long.
 Data: <H?&#156;&#134;0           > 48 3F 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000230869BC4D0, 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 0x00000230869C28C0, 16 bytes long.
 Data: < ?&#156;&#134;0           > 20 3F 9C 86 30 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000230869C3F20, 992 bytes long.
 Data: <&#192;(&#156;&#134;0   &#208;&#196;&#155;&#134;0   > C0 28 9C 86 30 02 00 00 D0 C4 9B 86 30 02 00 00 
{91} normal block at 0x00000230869BBCF0, 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 0x00000230869B6E00, 16 bytes long.
 Data: < &#227;&#155;&#134;0           > 00 E3 9B 86 30 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000230869BE300, 40 bytes long.
 Data: < n&#155;&#134;0   &#240;&#188;&#155;&#134;0   > 00 6E 9B 86 30 02 00 00 F0 BC 9B 86 30 02 00 00 
{68} normal block at 0x00000230869B7800, 16 bytes long.
 Data: < &#234;&#252; &#246;           > 80 EA FC 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000230869B7940, 16 bytes long.
 Data: <@&#233;&#252; &#246;           > 40 E9 FC 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000230869B7120, 16 bytes long.
 Data: <&#248;W&#249; &#246;           > F8 57 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000230869B79E0, 16 bytes long.
 Data: <&#216;W&#249; &#246;           > D8 57 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000230869B78F0, 16 bytes long.
 Data: <P &#249; &#246;           > 50 04 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000230869B6FE0, 16 bytes long.
 Data: <0 &#249; &#246;           > 30 04 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000230869B7B70, 16 bytes long.
 Data: <&#224; &#249; &#246;           > E0 02 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000230869B6CC0, 16 bytes long.
 Data: <  &#249; &#246;           > 10 04 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000230869B7620, 16 bytes long.
 Data: <p &#249; &#246;           > 70 04 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000230869B6F40, 16 bytes long.
 Data: < &#192;&#247; &#246;           > 18 C0 F7 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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