Task 38672924

Name test_764-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4469_0
Workunit 31615037
Created 26 Oct 2026, 0:54:57 UTC
Sent 26 Oct 2026, 0:55:04 UTC
Report deadline 31 Oct 2026, 0:55:04 UTC
Received 26 Oct 2026, 1:32:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654147
Run time 34 min 34 sec
CPU time 31 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,069.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.21 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>
01:56:42 (10564): wrapper (7.9.26016): starting
01:56:42 (10564): 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
01:56:45 (10564): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:56:45 (10564): 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\11\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\11\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
02:30:00 (10564): C:/Windows/system32/cmd.exe exited; CPU time 1918.953125
02:30:00 (10564): 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: 32698377 bytes.
Dumping objects ->
{3835197} normal block at 0x000001E588B0A710, 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 0x000001E588B0A240, 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 0x000001E586D54940, 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 0x000001E586D545C0, 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 0x000001E586D54BE0, 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 0x000001E588AF4500, 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 0x000001E586D4F9D0, 8 bytes long.
 Data: <  (&#135;&#229;   > 00 00 28 87 E5 01 00 00 
{3833959} normal block at 0x000001E586D4FD90, 8 bytes long.
 Data: <&#224;C&#181; &#229;   > E0 43 B5 88 E5 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E586D4E740, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E586D468D0, 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 0x000001E586D55A50, 16 bytes long.
 Data: <&#216;c&#213;&#134;&#229;           > D8 63 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E586D555F0, 16 bytes long.
 Data: <&#176;c&#213;&#134;&#229;           > B0 63 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E586D50720, 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 0x000001E586D55460, 16 bytes long.
 Data: < c&#213;&#134;&#229;           > 88 63 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E586D55BE0, 16 bytes long.
 Data: <`c&#213;&#134;&#229;           > 60 63 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E586D55AF0, 16 bytes long.
 Data: <8c&#213;&#134;&#229;           > 38 63 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E586D55A00, 16 bytes long.
 Data: < c&#213;&#134;&#229;           > 10 63 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E586D54710, 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 0x000001E586D55690, 16 bytes long.
 Data: <x&#238;&#211;&#134;&#229;           > 78 EE D3 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E586D50660, 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 0x000001E586D55280, 16 bytes long.
 Data: <P&#238;&#211;&#134;&#229;           > 50 EE D3 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E586D552D0, 16 bytes long.
 Data: <(&#238;&#211;&#134;&#229;           > 28 EE D3 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E586D55140, 16 bytes long.
 Data: < &#238;&#211;&#134;&#229;           > 00 EE D3 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E586D55910, 16 bytes long.
 Data: <&#216;&#237;&#211;&#134;&#229;           > D8 ED D3 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E586D558C0, 16 bytes long.
 Data: <&#176;&#237;&#211;&#134;&#229;           > B0 ED D3 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E586D56040, 16 bytes long.
 Data: < &#237;&#211;&#134;&#229;           > 88 ED D3 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E586D50FC0, 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 0x000001E586D55FF0, 16 bytes long.
 Data: <`&#237;&#211;&#134;&#229;           > 60 ED D3 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E586D3ED60, 320 bytes long.
 Data: <&#240;_&#213;&#134;&#229;   &#192; &#213;&#134;&#229;   > F0 5F D5 86 E5 01 00 00 C0 0F D5 86 E5 01 00 00 
{275} normal block at 0x000001E586D55C30, 16 bytes long.
 Data: <&#240;b&#213;&#134;&#229;           > F0 62 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E586D553C0, 16 bytes long.
 Data: <&#200;b&#213;&#134;&#229;           > C8 62 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E586D50A20, 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 0x000001E586D55320, 16 bytes long.
 Data: <&#160;b&#213;&#134;&#229;           > A0 62 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E586D513E0, 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 0x000001E586D55CD0, 16 bytes long.
 Data: <&#232;a&#213;&#134;&#229;           > E8 61 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E586D55960, 16 bytes long.
 Data: <&#192;a&#213;&#134;&#229;           > C0 61 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E586D55E60, 16 bytes long.
 Data: < a&#213;&#134;&#229;           > 98 61 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E586D55370, 16 bytes long.
 Data: <pa&#213;&#134;&#229;           > 70 61 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E586D55AA0, 16 bytes long.
 Data: <Ha&#213;&#134;&#229;           > 48 61 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E586D55410, 16 bytes long.
 Data: < a&#213;&#134;&#229;           > 20 61 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E586D55E10, 16 bytes long.
 Data: <&#224;D&#213;&#134;&#229;           > E0 44 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E586D544E0, 40 bytes long.
 Data: < ^&#213;&#134;&#229;    E&#175; &#229;   > 10 5E D5 86 E5 01 00 00 00 45 AF 88 E5 01 00 00 
{261} normal block at 0x000001E586D550F0, 16 bytes long.
 Data: < a&#213;&#134;&#229;           > 00 61 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E586D55DC0, 16 bytes long.
 Data: <&#216;`&#213;&#134;&#229;           > D8 60 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E586D505A0, 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 0x000001E586D55190, 16 bytes long.
 Data: <&#176;`&#213;&#134;&#229;           > B0 60 D5 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E586D560B0, 992 bytes long.
 Data: < Q&#213;&#134;&#229;   &#160; &#213;&#134;&#229;   > 90 51 D5 86 E5 01 00 00 A0 05 D5 86 E5 01 00 00 
{93} normal block at 0x000001E586D50D80, 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 0x000001E586D50330, 16 bytes long.
 Data: <&#160;&#227;&#212;&#134;&#229;           > A0 E3 D4 86 E5 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001E586D4E3A0, 40 bytes long.
 Data: <0 &#213;&#134;&#229;     &#213;&#134;&#229;   > 30 03 D5 86 E5 01 00 00 80 0D D5 86 E5 01 00 00 
{70} normal block at 0x000001E586D4FDE0, 16 bytes long.
 Data: < &#234;&#198;b&#247;           > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E586D50100, 16 bytes long.
 Data: <@&#233;&#198;b&#247;           > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E586D50380, 16 bytes long.
 Data: <&#248;W&#195;b&#247;           > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E586D4FCF0, 16 bytes long.
 Data: <&#216;W&#195;b&#247;           > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E586D4F4D0, 16 bytes long.
 Data: <P &#195;b&#247;           > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E586D4F520, 16 bytes long.
 Data: <0 &#195;b&#247;           > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E586D4F660, 16 bytes long.
 Data: <&#224; &#195;b&#247;           > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E586D500B0, 16 bytes long.
 Data: <  &#195;b&#247;           > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E586D4FC50, 16 bytes long.
 Data: <p &#195;b&#247;           > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E586D501A0, 16 bytes long.
 Data: < &#192;&#193;b&#247;           > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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