Task 38687588

Name test_851-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND7593_0
Workunit 31628973
Created 28 Oct 2026, 8:37:44 UTC
Sent 28 Oct 2026, 8:37:49 UTC
Report deadline 2 Nov 2026, 8:37:49 UTC
Received 28 Oct 2026, 9:05:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 25 min 33 sec
CPU time 23 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.85 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:39:26 (6288): wrapper (7.9.26016): starting
09:39:26 (6288): 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
09:39:27 (6288): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:39:27 (6288): 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\1\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\1\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
10:04:22 (6288): C:/Windows/system32/cmd.exe exited; CPU time 1432.046875
10:04:22 (6288): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 21846454 bytes.
Dumping objects ->
{3835554} normal block at 0x0000015FD02C4EF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x0000015FCE575EC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000015FCE575E50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x0000015FCE575DE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x0000015FCE575D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x0000015FD023C8B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000015FCE566830, 83 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) : {3835465} normal block at 0x0000015FCE56EB30, 8 bytes long.
 Data: <  Q&#206;_   > 00 00 51 CE 5F 01 00 00 
{3834684} normal block at 0x0000015FCE5665F0, 83 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000015FCE56EFE0, 8 bytes long.
 Data: <0J)&#208;_   > 30 4A 29 D0 5F 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000015FCE570DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015FCE5669E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000015FCE576BB0, 16 bytes long.
 Data: < wW&#206;_           > 18 77 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015FCE5768E0, 16 bytes long.
 Data: <&#240;vW&#206;_           > F0 76 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015FCE56F9E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000015FCE576F20, 16 bytes long.
 Data: <&#200;vW&#206;_           > C8 76 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015FCE576610, 16 bytes long.
 Data: <&#160;vW&#206;_           > A0 76 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015FCE576E30, 16 bytes long.
 Data: <xvW&#206;_           > 78 76 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015FCE576D40, 16 bytes long.
 Data: <PvW&#206;_           > 50 76 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015FCE576240, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000015FCE576700, 16 bytes long.
 Data: <H&#231;V&#206;_           > 48 E7 56 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015FCE56FE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000015FCE5771F0, 16 bytes long.
 Data: < &#231;V&#206;_           > 20 E7 56 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015FCE576CF0, 16 bytes long.
 Data: <&#248;&#230;V&#206;_           > F8 E6 56 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015FCE577100, 16 bytes long.
 Data: <&#208;&#230;V&#206;_           > D0 E6 56 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015FCE576ED0, 16 bytes long.
 Data: <&#168;&#230;V&#206;_           > A8 E6 56 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015FCE576B60, 16 bytes long.
 Data: < &#230;V&#206;_           > 80 E6 56 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015FCE577010, 16 bytes long.
 Data: <X&#230;V&#206;_           > 58 E6 56 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015FCE56FEC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000015FCE5765C0, 16 bytes long.
 Data: <0&#230;V&#206;_           > 30 E6 56 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015FCE56E630, 320 bytes long.
 Data: <&#192;eW&#206;_   &#192;&#254;V&#206;_   > C0 65 57 CE 5F 01 00 00 C0 FE 56 CE 5F 01 00 00 
{274} normal block at 0x0000015FCE576FC0, 16 bytes long.
 Data: <0vW&#206;_           > 30 76 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015FCE5764D0, 16 bytes long.
 Data: < vW&#206;_           > 08 76 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015FCE56FE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000015FCE577290, 16 bytes long.
 Data: <&#224;uW&#206;_           > E0 75 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015FCE570220, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000015FCE576CA0, 16 bytes long.
 Data: <(uW&#206;_           > 28 75 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015FCE576430, 16 bytes long.
 Data: < uW&#206;_           > 00 75 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015FCE576E80, 16 bytes long.
 Data: <&#216;tW&#206;_           > D8 74 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015FCE577240, 16 bytes long.
 Data: <&#176;tW&#206;_           > B0 74 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015FCE5771A0, 16 bytes long.
 Data: < tW&#206;_           > 88 74 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015FCE576AC0, 16 bytes long.
 Data: <`tW&#206;_           > 60 74 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015FCE5770B0, 16 bytes long.
 Data: < cW&#206;_           > 20 63 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015FCE576320, 40 bytes long.
 Data: <&#176;pW&#206;_   &#176;&#200;#&#208;_   > B0 70 57 CE 5F 01 00 00 B0 C8 23 D0 5F 01 00 00 
{260} normal block at 0x0000015FCE576840, 16 bytes long.
 Data: <@tW&#206;_           > 40 74 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015FCE5767F0, 16 bytes long.
 Data: < tW&#206;_           > 18 74 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015FCE570760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000015FCE576570, 16 bytes long.
 Data: <&#240;sW&#206;_           > F0 73 57 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015FCE5773F0, 992 bytes long.
 Data: <peW&#206;_   ` W&#206;_   > 70 65 57 CE 5F 01 00 00 60 07 57 CE 5F 01 00 00 
{92} normal block at 0x0000015FCE56FB00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000015FCE56E8B0, 16 bytes long.
 Data: < &#240;U&#206;_           > 20 F0 55 CE 5F 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000015FCE55F020, 40 bytes long.
 Data: <&#176;&#232;V&#206;_    &#251;V&#206;_   > B0 E8 56 CE 5F 01 00 00 00 FB 56 CE 5F 01 00 00 
{69} normal block at 0x0000015FCE56EAE0, 16 bytes long.
 Data: < &#234;&#130;&#134;&#247;           > 80 EA 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015FCE56F120, 16 bytes long.
 Data: <@&#233;&#130;&#134;&#247;           > 40 E9 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015FCE56F3F0, 16 bytes long.
 Data: <&#248;W &#134;&#247;           > F8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015FCE56E950, 16 bytes long.
 Data: <&#216;W &#134;&#247;           > D8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015FCE56E9F0, 16 bytes long.
 Data: <P  &#134;&#247;           > 50 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015FCE56F1C0, 16 bytes long.
 Data: <0  &#134;&#247;           > 30 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015FCE56EE00, 16 bytes long.
 Data: <&#224;  &#134;&#247;           > E0 02 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015FCE56F760, 16 bytes long.
 Data: <   &#134;&#247;           > 10 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015FCE56EA40, 16 bytes long.
 Data: <p  &#134;&#247;           > 70 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015FCE56EF40, 16 bytes long.
 Data: < &#192;}&#134;&#247;           > 18 C0 7D 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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