Task 38688834

Name test_441-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3934_0
Workunit 31630143
Created 28 Oct 2026, 16:28:07 UTC
Sent 28 Oct 2026, 16:28:16 UTC
Report deadline 2 Nov 2026, 16:28:16 UTC
Received 28 Oct 2026, 17:04:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 18 min 40 sec
CPU time 16 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.07 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:45:40 (30560): wrapper (7.9.26016): starting
17:45:40 (30560): 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
17:45:41 (30560): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:45:41 (30560): 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
18:03:38 (30560): C:/Windows/system32/cmd.exe exited; CPU time 994.687500
18:03:38 (30560): 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: 19762479 bytes.
Dumping objects ->
{3835223} normal block at 0x0000025FFB593FA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000025FFB594080, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000025FFB5946A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x0000025FFB5941D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000025FFB594400, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x0000025FFD2CB180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000025FFB5B84D0, 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) : {3835134} normal block at 0x0000025FFB58D110, 8 bytes long.
 Data: <   &#253;_   > 00 00 03 FD 5F 02 00 00 
{3834541} normal block at 0x0000025FFB5B8370, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000025FFB58CCB0, 8 bytes long.
 Data: <&#240; :&#253;_   > F0 1F 3A FD 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025FFB58F4A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025FFB585FA0, 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 0x0000025FFB5933E0, 16 bytes long.
 Data: <X>Y&#251;_           > 58 3E 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025FFB593250, 16 bytes long.
 Data: <0>Y&#251;_           > 30 3E 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025FFB58DF10, 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 0x0000025FFB592D00, 16 bytes long.
 Data: < >Y&#251;_           > 08 3E 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025FFB592DA0, 16 bytes long.
 Data: <&#224;=Y&#251;_           > E0 3D 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025FFB593200, 16 bytes long.
 Data: <&#184;=Y&#251;_           > B8 3D 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025FFB5935C0, 16 bytes long.
 Data: < =Y&#251;_           > 90 3D 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025FFB5944E0, 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 0x0000025FFB592C60, 16 bytes long.
 Data: <&#168;&#200;X&#251;_           > A8 C8 58 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025FFB58DD90, 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 0x0000025FFB593750, 16 bytes long.
 Data: < &#200;X&#251;_           > 80 C8 58 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025FFB592E90, 16 bytes long.
 Data: <X&#200;X&#251;_           > 58 C8 58 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025FFB5930C0, 16 bytes long.
 Data: <0&#200;X&#251;_           > 30 C8 58 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025FFB593660, 16 bytes long.
 Data: < &#200;X&#251;_           > 08 C8 58 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025FFB592E40, 16 bytes long.
 Data: <&#224;&#199;X&#251;_           > E0 C7 58 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025FFB593840, 16 bytes long.
 Data: <&#184;&#199;X&#251;_           > B8 C7 58 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025FFB58E690, 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 0x0000025FFB592F80, 16 bytes long.
 Data: < &#199;X&#251;_           > 90 C7 58 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025FFB58C790, 320 bytes long.
 Data: < /Y&#251;_    &#230;X&#251;_   > 80 2F 59 FB 5F 02 00 00 90 E6 58 FB 5F 02 00 00 
{275} normal block at 0x0000025FFB592F30, 16 bytes long.
 Data: <p=Y&#251;_           > 70 3D 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025FFB593890, 16 bytes long.
 Data: <H=Y&#251;_           > 48 3D 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025FFB58E990, 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 0x0000025FFB593A70, 16 bytes long.
 Data: < =Y&#251;_           > 20 3D 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025FFB58E450, 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 0x0000025FFB593160, 16 bytes long.
 Data: <h<Y&#251;_           > 68 3C 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025FFB593110, 16 bytes long.
 Data: <@<Y&#251;_           > 40 3C 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025FFB593980, 16 bytes long.
 Data: < <Y&#251;_           > 18 3C 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025FFB592C10, 16 bytes long.
 Data: <&#240;;Y&#251;_           > F0 3B 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025FFB593070, 16 bytes long.
 Data: <&#200;;Y&#251;_           > C8 3B 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025FFB592D50, 16 bytes long.
 Data: <&#160;;Y&#251;_           > A0 3B 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025FFB593570, 16 bytes long.
 Data: <&#192;&#223;W&#251;_           > C0 DF 57 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025FFB57DFC0, 40 bytes long.
 Data: <p5Y&#251;_    &#177;,&#253;_   > 70 35 59 FB 5F 02 00 00 80 B1 2C FD 5F 02 00 00 
{261} normal block at 0x0000025FFB5932F0, 16 bytes long.
 Data: < ;Y&#251;_           > 80 3B 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025FFB593930, 16 bytes long.
 Data: <X;Y&#251;_           > 58 3B 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025FFB58E630, 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 0x0000025FFB592BC0, 16 bytes long.
 Data: <0;Y&#251;_           > 30 3B 59 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025FFB593B30, 992 bytes long.
 Data: <&#192;+Y&#251;_   0&#230;X&#251;_   > C0 2B 59 FB 5F 02 00 00 30 E6 58 FB 5F 02 00 00 
{93} normal block at 0x0000025FFB58DC10, 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 0x0000025FFB58D9D0, 16 bytes long.
 Data: <&#208;&#198;W&#251;_           > D0 C6 57 FB 5F 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000025FFB57C6D0, 40 bytes long.
 Data: <&#208;&#217;X&#251;_    &#220;X&#251;_   > D0 D9 58 FB 5F 02 00 00 10 DC 58 FB 5F 02 00 00 
{70} normal block at 0x0000025FFB58CDF0, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025FFB58CB20, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025FFB58CAD0, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025FFB58D070, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025FFB58D2F0, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025FFB58CF30, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025FFB58D6B0, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025FFB58CE90, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025FFB58CD00, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025FFB58D930, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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