Task 38684431

Name test_480-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6492_0
Workunit 31625946
Created 27 Oct 2026, 16:18:39 UTC
Sent 27 Oct 2026, 16:18:43 UTC
Report deadline 1 Nov 2026, 16:18:43 UTC
Received 27 Oct 2026, 16:53:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640732
Run time 24 min 16 sec
CPU time 23 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.79 MB
Peak swap size 13.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:24:07 (24480): wrapper (7.9.26016): starting
16:24:07 (24480): 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
16:24:08 (24480): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:24:08 (24480): 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\63\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\63\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
16:50:35 (24480): C:/Windows/system32/cmd.exe exited; CPU time 1408.031250
16:50:35 (24480): 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: 32579925 bytes.
Dumping objects ->
{3835192} normal block at 0x000001ED6AB0C880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000001ED6AB0C810, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000001ED6AB0C7A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835159} normal block at 0x000001ED68D44940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001ED68D448D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835117} normal block at 0x000001ED6AB555D0, 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) : {3835104} normal block at 0x000001ED68D40030, 8 bytes long.
 Data: <  $i&#237;   > 00 00 24 69 ED 01 00 00 
{3833961} normal block at 0x000001ED68D3FE50, 8 bytes long.
 Data: <0D&#187;j&#237;   > 30 44 BB 6A ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001ED68D36AD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001ED68D37C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001ED68D45C60, 16 bytes long.
 Data: < e&#212;h&#237;           > 98 65 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ED68D45BC0, 16 bytes long.
 Data: <pe&#212;h&#237;           > 70 65 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001ED68D40900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001ED68D46200, 16 bytes long.
 Data: <He&#212;h&#237;           > 48 65 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED68D461B0, 16 bytes long.
 Data: < e&#212;h&#237;           > 20 65 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001ED68D45E90, 16 bytes long.
 Data: <&#248;d&#212;h&#237;           > F8 64 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED68D45E40, 16 bytes long.
 Data: <&#208;d&#212;h&#237;           > D0 64 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ED68D447F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001ED68D453A0, 16 bytes long.
 Data: < &#249;&#210;h&#237;           > 88 F9 D2 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED68D40960, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001ED68D460C0, 16 bytes long.
 Data: <`&#249;&#210;h&#237;           > 60 F9 D2 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED68D46160, 16 bytes long.
 Data: <8&#249;&#210;h&#237;           > 38 F9 D2 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ED68D45F80, 16 bytes long.
 Data: < &#249;&#210;h&#237;           > 10 F9 D2 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED68D46020, 16 bytes long.
 Data: <&#232;&#248;&#210;h&#237;           > E8 F8 D2 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ED68D45DF0, 16 bytes long.
 Data: <&#192;&#248;&#210;h&#237;           > C0 F8 D2 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ED68D45D00, 16 bytes long.
 Data: < &#248;&#210;h&#237;           > 98 F8 D2 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ED68D415C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001ED68D45490, 16 bytes long.
 Data: <p&#248;&#210;h&#237;           > 70 F8 D2 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED68D2F870, 320 bytes long.
 Data: < T&#212;h&#237;   &#192; &#212;h&#237;   > 90 54 D4 68 ED 01 00 00 C0 15 D4 68 ED 01 00 00 
{276} normal block at 0x000001ED68D457B0, 16 bytes long.
 Data: <&#176;d&#212;h&#237;           > B0 64 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED68D45300, 16 bytes long.
 Data: < d&#212;h&#237;           > 88 64 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ED68D40BA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001ED68D455D0, 16 bytes long.
 Data: <`d&#212;h&#237;           > 60 64 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED68D407E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001ED68D45D50, 16 bytes long.
 Data: <&#168;c&#212;h&#237;           > A8 63 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED68D45760, 16 bytes long.
 Data: < c&#212;h&#237;           > 80 63 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED68D45DA0, 16 bytes long.
 Data: <Xc&#212;h&#237;           > 58 63 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ED68D45710, 16 bytes long.
 Data: <0c&#212;h&#237;           > 30 63 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED68D45FD0, 16 bytes long.
 Data: < c&#212;h&#237;           > 08 63 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ED68D45F30, 16 bytes long.
 Data: <&#224;b&#212;h&#237;           > E0 62 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED68D45350, 16 bytes long.
 Data: < G&#212;h&#237;           > 80 47 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ED68D44780, 40 bytes long.
 Data: <PS&#212;h&#237;   &#208;U&#181;j&#237;   > 50 53 D4 68 ED 01 00 00 D0 55 B5 6A ED 01 00 00 
{262} normal block at 0x000001ED68D46110, 16 bytes long.
 Data: <&#192;b&#212;h&#237;           > C0 62 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED68D456C0, 16 bytes long.
 Data: < b&#212;h&#237;           > 98 62 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ED68D40B40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001ED68D45B70, 16 bytes long.
 Data: <pb&#212;h&#237;           > 70 62 D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ED68D46270, 992 bytes long.
 Data: <p[&#212;h&#237;   @ &#212;h&#237;   > 70 5B D4 68 ED 01 00 00 40 0B D4 68 ED 01 00 00 
{94} normal block at 0x000001ED68D40F60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001ED68D3FFE0, 16 bytes long.
 Data: <&#224;K&#212;h&#237;           > E0 4B D4 68 ED 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001ED68D44BE0, 40 bytes long.
 Data: <&#224;&#255;&#211;h&#237;   ` &#212;h&#237;   > E0 FF D3 68 ED 01 00 00 60 0F D4 68 ED 01 00 00 
{71} normal block at 0x000001ED68D3FF90, 16 bytes long.
 Data: < &#234;>&#229;&#246;           > 80 EA 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001ED68D3FE00, 16 bytes long.
 Data: <@&#233;>&#229;&#246;           > 40 E9 3E E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001ED68D3F900, 16 bytes long.
 Data: <&#248;W;&#229;&#246;           > F8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ED68D40580, 16 bytes long.
 Data: <&#216;W;&#229;&#246;           > D8 57 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ED68D40490, 16 bytes long.
 Data: <P ;&#229;&#246;           > 50 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ED68D40120, 16 bytes long.
 Data: <0 ;&#229;&#246;           > 30 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ED68D40080, 16 bytes long.
 Data: <&#224; ;&#229;&#246;           > E0 02 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ED68D3F9F0, 16 bytes long.
 Data: <  ;&#229;&#246;           > 10 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ED68D40670, 16 bytes long.
 Data: <p ;&#229;&#246;           > 70 04 3B E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED68D3F8B0, 16 bytes long.
 Data: < &#192;9&#229;&#246;           > 18 C0 39 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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