Task 38688755

Name test_392-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2706_0
Workunit 31630078
Created 28 Oct 2026, 15:59:47 UTC
Sent 28 Oct 2026, 15:59:50 UTC
Report deadline 2 Nov 2026, 15:59:50 UTC
Received 28 Oct 2026, 16:35:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 18 min 15 sec
CPU time 17 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.70 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:17:53 (54556): wrapper (7.9.26016): starting
11:17:53 (54556): 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
11:17:54 (54556): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:17:54 (54556): 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\18\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\18\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
11:35:26 (54556): C:/Windows/system32/cmd.exe exited; CPU time 1025.187500
11:35:26 (54556): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 22552799 bytes.
Dumping objects ->
{3835289} normal block at 0x000001C5D2F045F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x000001C5D2F04AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001C5D2F04900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x000001C5D2F04A50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001C5D2F04B30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x000001C5D4D88BC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001C5D2F5DA40, 135 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) : {3835200} normal block at 0x000001C5D2EFFDC0, 8 bytes long.
 Data: <  &#170;&#212;&#197;   > 00 00 AA D4 C5 01 00 00 
{3834577} normal block at 0x000001C5D2F5DCB0, 135 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 0x000001C5D2EFFA50, 8 bytes long.
 Data: < &#164;&#217;&#212;&#197;   > 80 A4 D9 D4 C5 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001C5D2F00DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C5D2EF5EA0, 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 0x000001C5D2F060B0, 16 bytes long.
 Data: <&#200;T&#240;&#210;&#197;           > C8 54 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C5D2F057A0, 16 bytes long.
 Data: <&#160;T&#240;&#210;&#197;           > A0 54 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C5D2EFEBB0, 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 0x000001C5D2F05D40, 16 bytes long.
 Data: <xT&#240;&#210;&#197;           > 78 54 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C5D2F06330, 16 bytes long.
 Data: <PT&#240;&#210;&#197;           > 50 54 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C5D2F06240, 16 bytes long.
 Data: <(T&#240;&#210;&#197;           > 28 54 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C5D2F057F0, 16 bytes long.
 Data: < T&#240;&#210;&#197;           > 00 54 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C5D2F04430, 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 0x000001C5D2F05F70, 16 bytes long.
 Data: <&#216;&#142;&#239;&#210;&#197;           > D8 8E EF D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C5D2EFF030, 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 0x000001C5D2F05B60, 16 bytes long.
 Data: <&#176;&#142;&#239;&#210;&#197;           > B0 8E EF D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C5D2F06060, 16 bytes long.
 Data: < &#142;&#239;&#210;&#197;           > 88 8E EF D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C5D2F061A0, 16 bytes long.
 Data: <`&#142;&#239;&#210;&#197;           > 60 8E EF D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C5D2F06290, 16 bytes long.
 Data: <8&#142;&#239;&#210;&#197;           > 38 8E EF D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C5D2F06380, 16 bytes long.
 Data: < &#142;&#239;&#210;&#197;           > 10 8E EF D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C5D2F05CF0, 16 bytes long.
 Data: <&#232; &#239;&#210;&#197;           > E8 8D EF D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C5D2EFE850, 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 0x000001C5D2F063D0, 16 bytes long.
 Data: <&#192; &#239;&#210;&#197;           > C0 8D EF D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C5D2EF8DC0, 320 bytes long.
 Data: <&#208;c&#240;&#210;&#197;   P&#232;&#239;&#210;&#197;   > D0 63 F0 D2 C5 01 00 00 50 E8 EF D2 C5 01 00 00 
{273} normal block at 0x000001C5D2F06010, 16 bytes long.
 Data: <&#224;S&#240;&#210;&#197;           > E0 53 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C5D2F05A20, 16 bytes long.
 Data: <&#184;S&#240;&#210;&#197;           > B8 53 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C5D2EFECD0, 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 0x000001C5D2F059D0, 16 bytes long.
 Data: < S&#240;&#210;&#197;           > 90 53 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C5D2EFE9D0, 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 0x000001C5D2F05FC0, 16 bytes long.
 Data: <&#216;R&#240;&#210;&#197;           > D8 52 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C5D2F06150, 16 bytes long.
 Data: <&#176;R&#240;&#210;&#197;           > B0 52 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C5D2F061F0, 16 bytes long.
 Data: < R&#240;&#210;&#197;           > 88 52 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C5D2F05AC0, 16 bytes long.
 Data: <`R&#240;&#210;&#197;           > 60 52 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C5D2EFF690, 16 bytes long.
 Data: <8R&#240;&#210;&#197;           > 38 52 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C5D2EFF640, 16 bytes long.
 Data: < R&#240;&#210;&#197;           > 10 52 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C5D2EFF5F0, 16 bytes long.
 Data: <&#208;F&#240;&#210;&#197;           > D0 46 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C5D2F046D0, 40 bytes long.
 Data: <&#240;&#245;&#239;&#210;&#197;   &#192;&#139;&#216;&#212;&#197;   > F0 F5 EF D2 C5 01 00 00 C0 8B D8 D4 C5 01 00 00 
{259} normal block at 0x000001C5D2EFF5A0, 16 bytes long.
 Data: <&#240;Q&#240;&#210;&#197;           > F0 51 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C5D2EFF910, 16 bytes long.
 Data: <&#200;Q&#240;&#210;&#197;           > C8 51 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C5D2EFE6D0, 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 0x000001C5D2EFF550, 16 bytes long.
 Data: <&#160;Q&#240;&#210;&#197;           > A0 51 F0 D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C5D2F051A0, 992 bytes long.
 Data: <P&#245;&#239;&#210;&#197;   &#208;&#230;&#239;&#210;&#197;   > 50 F5 EF D2 C5 01 00 00 D0 E6 EF D2 C5 01 00 00 
{91} normal block at 0x000001C5D2EFE8B0, 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 0x000001C5D2EFFFF0, 16 bytes long.
 Data: <&#160;&#227;&#238;&#210;&#197;           > A0 E3 EE D2 C5 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001C5D2EEE3A0, 40 bytes long.
 Data: <&#240;&#255;&#239;&#210;&#197;   &#176;&#232;&#239;&#210;&#197;   > F0 FF EF D2 C5 01 00 00 B0 E8 EF D2 C5 01 00 00 
{68} normal block at 0x000001C5D2EFF870, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C5D2EFFF00, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C5D2F00270, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C5D2F001D0, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C5D2EFF9B0, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C5D2F00220, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C5D2F00180, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C5D2F00400, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C5D2EFFAF0, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C5D2EFFAA0, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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