Task 38682977

Name test_320-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1714_0
Workunit 31624568
Created 27 Oct 2026, 9:55:55 UTC
Sent 27 Oct 2026, 9:55:57 UTC
Report deadline 1 Nov 2026, 9:55:57 UTC
Received 27 Oct 2026, 11:02:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 3 min 56 sec
CPU time 1 hours 1 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,635.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.56 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:58:42 (24976): wrapper (7.9.26016): starting
22:58:42 (24976): 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
22:58:44 (24976): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:58:44 (24976): 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\7\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\7\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
00:01:10 (24976): C:/Windows/system32/cmd.exe exited; CPU time 3669.937500
00:01:10 (24976): 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: 63760479 bytes.
Dumping objects ->
{3835297} normal block at 0x000001FA409FB410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x000001FA409FAB50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001FA409FA760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x000001FA3EE9C200, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000001FA3EE9C120, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x000001FA40A44FC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001FA40A5CC00, 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) : {3835208} normal block at 0x000001FA3EE97CD0, 8 bytes long.
 Data: <   @&#250;   > 00 00 8D 40 FA 01 00 00 
{3834578} normal block at 0x000001FA40A5D2E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001FA3EE97550, 8 bytes long.
 Data: <&#208;)&#173;@&#250;   > D0 29 AD 40 FA 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001FA3EEA0F20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FA3EE8B6E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001FA3EEA1F10, 16 bytes long.
 Data: <hE&#234;>&#250;           > 68 45 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FA3EEA2960, 16 bytes long.
 Data: <@E&#234;>&#250;           > 40 45 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FA3EE9D500, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001FA3EEA28C0, 16 bytes long.
 Data: < E&#234;>&#250;           > 18 45 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FA3EEA27D0, 16 bytes long.
 Data: <&#240;D&#234;>&#250;           > F0 44 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FA3EEA2000, 16 bytes long.
 Data: <&#200;D&#234;>&#250;           > C8 44 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FA3EEA1E70, 16 bytes long.
 Data: <&#160;D&#234;>&#250;           > A0 44 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FA3EE9BFD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001FA3EEA2780, 16 bytes long.
 Data: <X\&#232;>&#250;           > 58 5C E8 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FA3EE9D920, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001FA3EEA2730, 16 bytes long.
 Data: <0\&#232;>&#250;           > 30 5C E8 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FA3EEA2BE0, 16 bytes long.
 Data: < \&#232;>&#250;           > 08 5C E8 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FA3EEA2370, 16 bytes long.
 Data: <&#224;[&#232;>&#250;           > E0 5B E8 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FA3EEA2640, 16 bytes long.
 Data: <&#184;[&#232;>&#250;           > B8 5B E8 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FA3EEA23C0, 16 bytes long.
 Data: < [&#232;>&#250;           > 90 5B E8 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FA3EEA2280, 16 bytes long.
 Data: <h[&#232;>&#250;           > 68 5B E8 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FA3EE9D740, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001FA3EEA2230, 16 bytes long.
 Data: <@[&#232;>&#250;           > 40 5B E8 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FA3EE85B40, 320 bytes long.
 Data: <0"&#234;>&#250;   @&#215;&#233;>&#250;   > 30 22 EA 3E FA 01 00 00 40 D7 E9 3E FA 01 00 00 
{271} normal block at 0x000001FA3EEA2550, 16 bytes long.
 Data: < D&#234;>&#250;           > 80 44 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FA3EEA2190, 16 bytes long.
 Data: <XD&#234;>&#250;           > 58 44 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FA3EE9D620, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001FA3EEA2D70, 16 bytes long.
 Data: <0D&#234;>&#250;           > 30 44 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FA3EE9D4A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001FA3EEA29B0, 16 bytes long.
 Data: <xC&#234;>&#250;           > 78 43 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FA3EEA21E0, 16 bytes long.
 Data: <PC&#234;>&#250;           > 50 43 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FA3EEA2500, 16 bytes long.
 Data: <(C&#234;>&#250;           > 28 43 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FA3EEA2B90, 16 bytes long.
 Data: < C&#234;>&#250;           > 00 43 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FA3EEA1FB0, 16 bytes long.
 Data: <&#216;B&#234;>&#250;           > D8 42 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FA3EEA2DC0, 16 bytes long.
 Data: <&#176;B&#234;>&#250;           > B0 42 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FA3EEA2460, 16 bytes long.
 Data: <0&#196;&#233;>&#250;           > 30 C4 E9 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FA3EE9C430, 40 bytes long.
 Data: <`$&#234;>&#250;   &#192;O&#164;@&#250;   > 60 24 EA 3E FA 01 00 00 C0 4F A4 40 FA 01 00 00 
{257} normal block at 0x000001FA3EEA2B40, 16 bytes long.
 Data: < B&#234;>&#250;           > 90 42 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FA3EEA2870, 16 bytes long.
 Data: <hB&#234;>&#250;           > 68 42 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FA3EE9DF20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001FA3EEA2AA0, 16 bytes long.
 Data: <@B&#234;>&#250;           > 40 42 EA 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FA3EEA4240, 992 bytes long.
 Data: <&#160;*&#234;>&#250;    &#223;&#233;>&#250;   > A0 2A EA 3E FA 01 00 00 20 DF E9 3E FA 01 00 00 
{89} normal block at 0x000001FA3EE9DC20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001FA3EE974B0, 16 bytes long.
 Data: <&#224;&#194;&#233;>&#250;           > E0 C2 E9 3E FA 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001FA3EE9C2E0, 40 bytes long.
 Data: <&#176;t&#233;>&#250;    &#220;&#233;>&#250;   > B0 74 E9 3E FA 01 00 00 20 DC E9 3E FA 01 00 00 
{66} normal block at 0x000001FA3EE98130, 16 bytes long.
 Data: < &#234;&#251;]&#246;           > 80 EA FB 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FA3EE97AF0, 16 bytes long.
 Data: <@&#233;&#251;]&#246;           > 40 E9 FB 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FA3EE97B40, 16 bytes long.
 Data: <&#248;W&#248;]&#246;           > F8 57 F8 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FA3EE97BE0, 16 bytes long.
 Data: <&#216;W&#248;]&#246;           > D8 57 F8 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FA3EE973C0, 16 bytes long.
 Data: <P &#248;]&#246;           > 50 04 F8 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FA3EE979B0, 16 bytes long.
 Data: <0 &#248;]&#246;           > 30 04 F8 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FA3EE97410, 16 bytes long.
 Data: <&#224; &#248;]&#246;           > E0 02 F8 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FA3EE97F50, 16 bytes long.
 Data: <  &#248;]&#246;           > 10 04 F8 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FA3EE98040, 16 bytes long.
 Data: <p &#248;]&#246;           > 70 04 F8 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FA3EE97B90, 16 bytes long.
 Data: < &#192;&#246;]&#246;           > 18 C0 F6 5D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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