Task 38668106

Name test_709-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1003_0
Workunit 31610668
Created 25 Oct 2026, 10:40:44 UTC
Sent 25 Oct 2026, 10:40:49 UTC
Report deadline 30 Oct 2026, 10:40:49 UTC
Received 25 Oct 2026, 11:13:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647482
Run time 27 min 17 sec
CPU time 24 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,850.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.12 MB
Peak swap size 6.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:46:08 (20892): wrapper (7.9.26016): starting
11:46:08 (20892): 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
11:46:10 (20892): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:46:10 (20892): 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
12:12:20 (20892): C:/Windows/system32/cmd.exe exited; CPU time 1445.703125
12:12:20 (20892): 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: 24175679 bytes.
Dumping objects ->
{3835197} normal block at 0x00000272761BCAC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000272761BCCF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000272761BCF20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x0000027274534AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x00000272745346F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x00000272762082C0, 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) : {3835109} normal block at 0x000002727452F7D0, 8 bytes long.
 Data: <  Ptr   > 00 00 50 74 72 02 00 00 
{3833961} normal block at 0x0000027274530540, 8 bytes long.
 Data: < 5&vr   > 00 35 26 76 72 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027274526080, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027274527320, 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 0x0000027274535950, 16 bytes long.
 Data: <8gStr           > 38 67 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027274535450, 16 bytes long.
 Data: < gStr           > 10 67 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000272745308D0, 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 0x0000027274536080, 16 bytes long.
 Data: <&#232;fStr           > E8 66 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000272745354A0, 16 bytes long.
 Data: <&#192;fStr           > C0 66 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000272745362B0, 16 bytes long.
 Data: < fStr           > 98 66 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027274535C20, 16 bytes long.
 Data: <pfStr           > 70 66 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027274534CA0, 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 0x0000027274536260, 16 bytes long.
 Data: <&#200;&#253;Qtr           > C8 FD 51 74 72 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000272745314D0, 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 0x0000027274535B80, 16 bytes long.
 Data: <&#160;&#253;Qtr           > A0 FD 51 74 72 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027274535E00, 16 bytes long.
 Data: <x&#253;Qtr           > 78 FD 51 74 72 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027274535C70, 16 bytes long.
 Data: <P&#253;Qtr           > 50 FD 51 74 72 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000272745354F0, 16 bytes long.
 Data: <(&#253;Qtr           > 28 FD 51 74 72 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027274536030, 16 bytes long.
 Data: < &#253;Qtr           > 00 FD 51 74 72 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027274535770, 16 bytes long.
 Data: <&#216;&#252;Qtr           > D8 FC 51 74 72 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000272745306F0, 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 0x0000027274535F90, 16 bytes long.
 Data: <&#176;&#252;Qtr           > B0 FC 51 74 72 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002727451FCB0, 320 bytes long.
 Data: < _Str   &#240; Str   > 90 5F 53 74 72 02 00 00 F0 06 53 74 72 02 00 00 
{276} normal block at 0x0000027274535F40, 16 bytes long.
 Data: <PfStr           > 50 66 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000272745358B0, 16 bytes long.
 Data: <(fStr           > 28 66 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027274530CF0, 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 0x0000027274535900, 16 bytes long.
 Data: < fStr           > 00 66 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000272745315F0, 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 0x0000027274535540, 16 bytes long.
 Data: <HeStr           > 48 65 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027274535BD0, 16 bytes long.
 Data: < eStr           > 20 65 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027274535A40, 16 bytes long.
 Data: <&#248;dStr           > F8 64 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000272745360D0, 16 bytes long.
 Data: <&#208;dStr           > D0 64 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027274535D60, 16 bytes long.
 Data: <&#168;dStr           > A8 64 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027274535FE0, 16 bytes long.
 Data: < dStr           > 80 64 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027274536300, 16 bytes long.
 Data: < JStr           > 00 4A 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027274534A00, 40 bytes long.
 Data: < cStr   &#192;&#130; vr   > 00 63 53 74 72 02 00 00 C0 82 20 76 72 02 00 00 
{262} normal block at 0x0000027274535EA0, 16 bytes long.
 Data: <`dStr           > 60 64 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027274535EF0, 16 bytes long.
 Data: <8dStr           > 38 64 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027274531230, 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 0x0000027274535E50, 16 bytes long.
 Data: < dStr           > 10 64 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027274536410, 992 bytes long.
 Data: <P^Str   0 Str   > 50 5E 53 74 72 02 00 00 30 12 53 74 72 02 00 00 
{94} normal block at 0x0000027274530BD0, 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 0x0000027274530090, 16 bytes long.
 Data: < IStr           > 20 49 53 74 72 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027274534920, 40 bytes long.
 Data: <  Str   &#208; Str   > 90 00 53 74 72 02 00 00 D0 0B 53 74 72 02 00 00 
{71} normal block at 0x000002727452FCD0, 16 bytes long.
 Data: < &#234;iv&#246;           > 80 EA 69 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002727452F8C0, 16 bytes long.
 Data: <@&#233;iv&#246;           > 40 E9 69 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002727452F780, 16 bytes long.
 Data: <&#248;Wfv&#246;           > F8 57 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027274530180, 16 bytes long.
 Data: <&#216;Wfv&#246;           > D8 57 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027274530270, 16 bytes long.
 Data: <P fv&#246;           > 50 04 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000272745304F0, 16 bytes long.
 Data: <0 fv&#246;           > 30 04 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000272745304A0, 16 bytes long.
 Data: <&#224; fv&#246;           > E0 02 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002727452F6E0, 16 bytes long.
 Data: <  fv&#246;           > 10 04 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002727452F870, 16 bytes long.
 Data: <p fv&#246;           > 70 04 66 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027274530450, 16 bytes long.
 Data: < &#192;dv&#246;           > 18 C0 64 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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