Task 38680968

Name test_428-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8580_1
Workunit 31622583
Created 27 Oct 2026, 2:10:04 UTC
Sent 27 Oct 2026, 2:10:09 UTC
Report deadline 1 Nov 2026, 2:10:09 UTC
Received 27 Oct 2026, 4:11:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 41 sec
CPU time 51 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.46 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
23:12:24 (37228): wrapper (7.9.26016): starting
23:12:24 (37228): 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
23:12:25 (37228): Library/usr/bin/tar.exe exited; CPU time 0.031250
23:12:25 (37228): 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\0\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\0\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
00:10:34 (37228): C:/Windows/system32/cmd.exe exited; CPU time 3101.609375
00:10:34 (37228): 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: 83419629 bytes.
Dumping objects ->
{3835500} normal block at 0x0000024455844760, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000024455844AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x0000024455844A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x0000024455844990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000024455844680, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x000002445765B100, 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) : {3835412} normal block at 0x000002445583E970, 8 bytes long.
 Data: <  KWD   > 00 00 4B 57 44 02 00 00 
{3833959} normal block at 0x000002445583ED80, 8 bytes long.
 Data: <&#176;&#232;&#145;UD   > B0 E8 91 55 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024455840760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000244558361C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000024455846000, 16 bytes long.
 Data: <xe&#132;UD           > 78 65 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024455845880, 16 bytes long.
 Data: <Pe&#132;UD           > 50 65 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002445583F930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000024455845FB0, 16 bytes long.
 Data: <(e&#132;UD           > 28 65 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024455846140, 16 bytes long.
 Data: < e&#132;UD           > 00 65 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024455845E20, 16 bytes long.
 Data: <&#216;d&#132;UD           > D8 64 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024455845AB0, 16 bytes long.
 Data: <&#176;d&#132;UD           > B0 64 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024455844B50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000024455845380, 16 bytes long.
 Data: < &#228;&#130;UD           > 98 E4 82 55 44 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000244558402F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000024455845290, 16 bytes long.
 Data: <p&#228;&#130;UD           > 70 E4 82 55 44 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024455845F60, 16 bytes long.
 Data: <H&#228;&#130;UD           > 48 E4 82 55 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024455845A60, 16 bytes long.
 Data: < &#228;&#130;UD           > 20 E4 82 55 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024455845CE0, 16 bytes long.
 Data: <&#248;&#227;&#130;UD           > F8 E3 82 55 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000244558452E0, 16 bytes long.
 Data: <&#208;&#227;&#130;UD           > D0 E3 82 55 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024455845790, 16 bytes long.
 Data: <&#168;&#227;&#130;UD           > A8 E3 82 55 44 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024455840290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000024455845E70, 16 bytes long.
 Data: < &#227;&#130;UD           > 80 E3 82 55 44 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002445582E380, 320 bytes long.
 Data: <p^&#132;UD     &#132;UD   > 70 5E 84 55 44 02 00 00 90 02 84 55 44 02 00 00 
{275} normal block at 0x00000244558453D0, 16 bytes long.
 Data: < d&#132;UD           > 90 64 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024455845560, 16 bytes long.
 Data: <hd&#132;UD           > 68 64 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024455840230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000024455845830, 16 bytes long.
 Data: <@d&#132;UD           > 40 64 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002445583FED0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000244558458D0, 16 bytes long.
 Data: < c&#132;UD           > 88 63 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024455845DD0, 16 bytes long.
 Data: <`c&#132;UD           > 60 63 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000244558460A0, 16 bytes long.
 Data: <8c&#132;UD           > 38 63 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024455845BF0, 16 bytes long.
 Data: < c&#132;UD           > 10 63 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000244558456A0, 16 bytes long.
 Data: <&#232;b&#132;UD           > E8 62 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024455845920, 16 bytes long.
 Data: <&#192;b&#132;UD           > C0 62 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024455845D80, 16 bytes long.
 Data: <&#176;H&#132;UD           > B0 48 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000244558448B0, 40 bytes long.
 Data: < ]&#132;UD    &#177;eWD   > 80 5D 84 55 44 02 00 00 00 B1 65 57 44 02 00 00 
{261} normal block at 0x0000024455845F10, 16 bytes long.
 Data: <&#160;b&#132;UD           > A0 62 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024455845D30, 16 bytes long.
 Data: <xb&#132;UD           > 78 62 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000244558401D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000024455845740, 16 bytes long.
 Data: <Pb&#132;UD           > 50 62 84 55 44 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024455846250, 992 bytes long.
 Data: <@W&#132;UD   &#208; &#132;UD   > 40 57 84 55 44 02 00 00 D0 01 84 55 44 02 00 00 
{93} normal block at 0x00000244558403B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002445583EC40, 16 bytes long.
 Data: <&#208;&#192;&#130;UD           > D0 C0 82 55 44 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002445582C0D0, 40 bytes long.
 Data: <@&#236;&#131;UD   &#176; &#132;UD   > 40 EC 83 55 44 02 00 00 B0 03 84 55 44 02 00 00 
{70} normal block at 0x000002445583F370, 16 bytes long.
 Data: < &#234;:&#177;&#246;           > 80 EA 3A B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002445583F640, 16 bytes long.
 Data: <@&#233;:&#177;&#246;           > 40 E9 3A B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002445583ED30, 16 bytes long.
 Data: <&#248;W7&#177;&#246;           > F8 57 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002445583F320, 16 bytes long.
 Data: <&#216;W7&#177;&#246;           > D8 57 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002445583F0A0, 16 bytes long.
 Data: <P 7&#177;&#246;           > 50 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002445583EFB0, 16 bytes long.
 Data: <0 7&#177;&#246;           > 30 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002445583F0F0, 16 bytes long.
 Data: <&#224; 7&#177;&#246;           > E0 02 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002445583ECE0, 16 bytes long.
 Data: <  7&#177;&#246;           > 10 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002445583F410, 16 bytes long.
 Data: <p 7&#177;&#246;           > 70 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002445583EB50, 16 bytes long.
 Data: < &#192;5&#177;&#246;           > 18 C0 35 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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