Task 38682684

Name test_306-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6290_0
Workunit 31624281
Created 27 Oct 2026, 8:39:15 UTC
Sent 27 Oct 2026, 8:39:22 UTC
Report deadline 1 Nov 2026, 8:39:22 UTC
Received 27 Oct 2026, 10:58:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645746
Run time 42 min 20 sec
CPU time 36 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.36 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:17:06 (14100): wrapper (7.9.26016): starting
06:17:06 (14100): 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
06:17:07 (14100): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:17:07 (14100): 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\17\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\17\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
06:58:10 (14100): C:/Windows/system32/cmd.exe exited; CPU time 2217.843750
06:58:10 (14100): 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: 40488669 bytes.
Dumping objects ->
{3835188} normal block at 0x0000000000616D40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000000000616CD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x0000000000616F00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835155} normal block at 0x0000000000616B80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x0000000000616950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835113} normal block at 0x0000000002586010, 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) : {3835100} normal block at 0x00000000006101B0, 8 bytes long.
 Data: <  W     > 00 00 57 00 00 00 00 00 
{3833951} normal block at 0x000000000060F9E0, 8 bytes long.
 Data: <`T^     > 60 54 5E 02 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000000000610860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000000000605F20, 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 0x00000000006180A0, 16 bytes long.
 Data: <&#200;sa             > C8 73 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000000000617740, 16 bytes long.
 Data: <&#160;sa             > A0 73 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000000000060EC40, 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 0x0000000000617560, 16 bytes long.
 Data: <xsa             > 78 73 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000000000617970, 16 bytes long.
 Data: <Psa             > 50 73 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000000000617510, 16 bytes long.
 Data: <(sa             > 28 73 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000000000618460, 16 bytes long.
 Data: < sa             > 00 73 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000000000616C60, 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 0x0000000000617C90, 16 bytes long.
 Data: <x&#243;_             > 78 F3 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000000000060EB80, 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 0x0000000000618370, 16 bytes long.
 Data: <P&#243;_             > 50 F3 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000000006176A0, 16 bytes long.
 Data: <(&#243;_             > 28 F3 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000000000617D30, 16 bytes long.
 Data: < &#243;_             > 00 F3 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000000006176F0, 16 bytes long.
 Data: <&#216;&#242;_             > D8 F2 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000000006175B0, 16 bytes long.
 Data: <&#176;&#242;_             > B0 F2 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000000000618190, 16 bytes long.
 Data: < &#242;_             > 88 F2 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000000000060EBE0, 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 0x0000000000617BA0, 16 bytes long.
 Data: <`&#242;_             > 60 F2 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000000005FF260, 320 bytes long.
 Data: <&#160;{a     &#224;&#235;`     > A0 7B 61 00 00 00 00 00 E0 EB 60 00 00 00 00 00 
{271} normal block at 0x0000000000618410, 16 bytes long.
 Data: <&#224;ra             > E0 72 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000000000617B00, 16 bytes long.
 Data: <&#184;ra             > B8 72 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000000000060EE80, 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 0x00000000006183C0, 16 bytes long.
 Data: < ra             > 90 72 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000000000060F600, 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 0x0000000000618050, 16 bytes long.
 Data: <&#216;qa             > D8 71 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000000000617CE0, 16 bytes long.
 Data: <&#176;qa             > B0 71 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000000000617A10, 16 bytes long.
 Data: < qa             > 88 71 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000000000618140, 16 bytes long.
 Data: <`qa             > 60 71 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000000000060F760, 16 bytes long.
 Data: <8qa             > 38 71 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000000006103E0, 16 bytes long.
 Data: < qa             > 10 71 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000000000060FEE0, 16 bytes long.
 Data: <&#176;ma             > B0 6D 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000000000616DB0, 40 bytes long.
 Data: <&#224;&#254;`      `X     > E0 FE 60 00 00 00 00 00 10 60 58 02 00 00 00 00 
{257} normal block at 0x00000000006102A0, 16 bytes long.
 Data: <&#240;pa             > F0 70 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000000000060FE40, 16 bytes long.
 Data: <&#200;pa             > C8 70 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000000000060EEE0, 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 0x000000000060FD50, 16 bytes long.
 Data: <&#160;pa             > A0 70 61 00 00 00 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000000006170A0, 992 bytes long.
 Data: <P&#253;`     &#224;&#238;`     > 50 FD 60 00 00 00 00 00 E0 EE 60 00 00 00 00 00 
{89} normal block at 0x000000000060F000, 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 0x0000000000610520, 16 bytes long.
 Data: < &#199;_             > 10 C7 5F 00 00 00 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000000005FC710, 40 bytes long.
 Data: <  a      &#240;`     > 20 05 61 00 00 00 00 00 00 F0 60 00 00 00 00 00 
{66} normal block at 0x0000000000610160, 16 bytes long.
 Data: < &#234;Wf&#247;           > 80 EA 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000000000060FF80, 16 bytes long.
 Data: <@&#233;Wf&#247;           > 40 E9 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000000000060F800, 16 bytes long.
 Data: <&#248;WTf&#247;           > F8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000000006105C0, 16 bytes long.
 Data: <&#216;WTf&#247;           > D8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000000000060F990, 16 bytes long.
 Data: <P Tf&#247;           > 50 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000000000060F8A0, 16 bytes long.
 Data: <0 Tf&#247;           > 30 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000000000610070, 16 bytes long.
 Data: <&#224; Tf&#247;           > E0 02 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000000000610570, 16 bytes long.
 Data: <  Tf&#247;           > 10 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000000000060FDA0, 16 bytes long.
 Data: <p Tf&#247;           > 70 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000000000060FDF0, 16 bytes long.
 Data: < &#192;Rf&#247;           > 18 C0 52 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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