Task 38688443

Name test_569-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3902_0
Workunit 31629795
Created 28 Oct 2026, 13:57:50 UTC
Sent 28 Oct 2026, 13:57:56 UTC
Report deadline 2 Nov 2026, 13:57:56 UTC
Received 28 Oct 2026, 15:20:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652152
Run time 1 hours 11 min 51 sec
CPU time 1 hours 2 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,462.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.80 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:11:21 (19840): wrapper (7.9.26016): starting
10:11:21 (19840): 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
10:11:24 (19840): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:11:24 (19840): 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\3\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\3\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
11:20:29 (19840): C:/Windows/system32/cmd.exe exited; CPU time 3745.171875
11:20:29 (19840): 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: 68331503 bytes.
Dumping objects ->
{3835310} normal block at 0x00000297931D1490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x00000297931D1C70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x00000297931D1650, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835277} normal block at 0x00000297931D1340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x00000297931D1DC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835235} normal block at 0x00000297932C7170, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x00000297932DEFB0, 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) : {3835221} normal block at 0x0000029791788340, 8 bytes long.
 Data: <  t&#145;&#151;   > 00 00 74 91 97 02 00 00 
{3834583} normal block at 0x00000297932DF1C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000029791787940, 8 bytes long.
 Data: <&#240;&#183;w&#145;&#151;   > F0 B7 77 91 97 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000029791791DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029791776A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000029791792ED0, 16 bytes long.
 Data: <(Uy&#145;&#151;           > 28 55 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000297917933D0, 16 bytes long.
 Data: < Uy&#145;&#151;           > 00 55 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002979178D770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000029791793BA0, 16 bytes long.
 Data: <&#216;Ty&#145;&#151;           > D8 54 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000297917936A0, 16 bytes long.
 Data: <&#176;Ty&#145;&#151;           > B0 54 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029791793CE0, 16 bytes long.
 Data: < Ty&#145;&#151;           > 88 54 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029791793510, 16 bytes long.
 Data: <`Ty&#145;&#151;           > 60 54 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002979178CA40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000029791793B00, 16 bytes long.
 Data: <&#216;iw&#145;&#151;           > D8 69 77 91 97 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002979178D230, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000297917935B0, 16 bytes long.
 Data: <&#176;iw&#145;&#151;           > B0 69 77 91 97 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029791793830, 16 bytes long.
 Data: < iw&#145;&#151;           > 88 69 77 91 97 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029791793AB0, 16 bytes long.
 Data: <`iw&#145;&#151;           > 60 69 77 91 97 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029791793100, 16 bytes long.
 Data: <8iw&#145;&#151;           > 38 69 77 91 97 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029791793060, 16 bytes long.
 Data: < iw&#145;&#151;           > 10 69 77 91 97 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029791793C40, 16 bytes long.
 Data: <&#232;hw&#145;&#151;           > E8 68 77 91 97 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002979178D5F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000029791793240, 16 bytes long.
 Data: <&#192;hw&#145;&#151;           > C0 68 77 91 97 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000297917768C0, 320 bytes long.
 Data: <@2y&#145;&#151;   &#240;&#213;x&#145;&#151;   > 40 32 79 91 97 02 00 00 F0 D5 78 91 97 02 00 00 
{277} normal block at 0x0000029791793330, 16 bytes long.
 Data: <@Ty&#145;&#151;           > 40 54 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029791792E80, 16 bytes long.
 Data: < Ty&#145;&#151;           > 18 54 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002979178D890, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000297917930B0, 16 bytes long.
 Data: <&#240;Sy&#145;&#151;           > F0 53 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002979178D170, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000029791793D80, 16 bytes long.
 Data: <8Sy&#145;&#151;           > 38 53 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029791793380, 16 bytes long.
 Data: < Sy&#145;&#151;           > 10 53 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029791793010, 16 bytes long.
 Data: <&#232;Ry&#145;&#151;           > E8 52 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029791793740, 16 bytes long.
 Data: <&#192;Ry&#145;&#151;           > C0 52 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029791792FC0, 16 bytes long.
 Data: < Ry&#145;&#151;           > 98 52 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000297917932E0, 16 bytes long.
 Data: <pRy&#145;&#151;           > 70 52 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029791792F70, 16 bytes long.
 Data: <&#192;&#205;x&#145;&#151;           > C0 CD 78 91 97 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002979178CDC0, 40 bytes long.
 Data: <p/y&#145;&#151;   pq,&#147;&#151;   > 70 2F 79 91 97 02 00 00 70 71 2C 93 97 02 00 00 
{263} normal block at 0x0000029791792E30, 16 bytes long.
 Data: <PRy&#145;&#151;           > 50 52 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029791793A10, 16 bytes long.
 Data: <(Ry&#145;&#151;           > 28 52 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002979178D350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000029791793D30, 16 bytes long.
 Data: < Ry&#145;&#151;           > 00 52 79 91 97 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029791795200, 992 bytes long.
 Data: <0=y&#145;&#151;   P&#211;x&#145;&#151;   > 30 3D 79 91 97 02 00 00 50 D3 78 91 97 02 00 00 
{95} normal block at 0x000002979178D710, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000297917879E0, 16 bytes long.
 Data: <&#224;&#204;x&#145;&#151;           > E0 CC 78 91 97 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002979178CCE0, 40 bytes long.
 Data: <&#224;yx&#145;&#151;    &#215;x&#145;&#151;   > E0 79 78 91 97 02 00 00 10 D7 78 91 97 02 00 00 
{72} normal block at 0x0000029791788390, 16 bytes long.
 Data: < &#234;&#151; &#247;           > 80 EA 97 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000029791787800, 16 bytes long.
 Data: <@&#233;&#151; &#247;           > 40 E9 97 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029791787E40, 16 bytes long.
 Data: <&#248;W&#148; &#247;           > F8 57 94 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029791788250, 16 bytes long.
 Data: <&#216;W&#148; &#247;           > D8 57 94 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000297917882F0, 16 bytes long.
 Data: <P &#148; &#247;           > 50 04 94 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029791788700, 16 bytes long.
 Data: <0 &#148; &#247;           > 30 04 94 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029791788570, 16 bytes long.
 Data: <&#224; &#148; &#247;           > E0 02 94 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029791787BC0, 16 bytes long.
 Data: <  &#148; &#247;           > 10 04 94 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029791788160, 16 bytes long.
 Data: <p &#148; &#247;           > 70 04 94 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000297917880C0, 16 bytes long.
 Data: < &#192;&#146; &#247;           > 18 C0 92 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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