Task 38688148

Name test_401-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND8527_0
Workunit 31629514
Created 28 Oct 2026, 11:58:05 UTC
Sent 28 Oct 2026, 11:58:11 UTC
Report deadline 2 Nov 2026, 11:58:11 UTC
Received 28 Oct 2026, 12:32:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 33 min 18 sec
CPU time 31 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.68 MB
Peak swap size 6.79 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
08:00:15 (18904): wrapper (7.9.26016): starting
08:00:15 (18904): 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
08:00:17 (18904): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:00:17 (18904): 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\2\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\2\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
08:32:14 (18904): C:/Windows/system32/cmd.exe exited; CPU time 1881.109375
08:32:14 (18904): 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: 36012341 bytes.
Dumping objects ->
{3835542} normal block at 0x00000245E2AB6940, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x00000245E2AB6550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x00000245E2AB6470, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x00000245E2AB6400, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x00000245E2AB68D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x00000245E4854370, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x00000245E486E870, 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) : {3835453} normal block at 0x00000245E2AAFA00, 8 bytes long.
 Data: <  &#246;&#226;E   > 00 00 F6 E2 45 02 00 00 
{3834690} normal block at 0x00000245E486F160, 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 0x00000245E2AAF3C0, 8 bytes long.
 Data: <&#208;?&#142;&#228;E   > D0 3F 8E E4 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000245E2AAE1E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000245E2AA6250, 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 0x00000245E2AB56C0, 16 bytes long.
 Data: <&#216;a&#171;&#226;E           > D8 61 AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000245E2AB4F90, 16 bytes long.
 Data: <&#176;a&#171;&#226;E           > B0 61 AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000245E2AB0260, 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 0x00000245E2AB5670, 16 bytes long.
 Data: < a&#171;&#226;E           > 88 61 AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000245E2AB5AD0, 16 bytes long.
 Data: <`a&#171;&#226;E           > 60 61 AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000245E2AB55D0, 16 bytes long.
 Data: <8a&#171;&#226;E           > 38 61 AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000245E2AB5530, 16 bytes long.
 Data: < a&#171;&#226;E           > 10 61 AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000245E2AB6630, 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 0x00000245E2AB5940, 16 bytes long.
 Data: <&#232; &#170;&#226;E           > E8 8F AA E2 45 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000245E2AB07A0, 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 0x00000245E2AB5DF0, 16 bytes long.
 Data: <&#192; &#170;&#226;E           > C0 8F AA E2 45 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000245E2AB53A0, 16 bytes long.
 Data: <  &#170;&#226;E           > 98 8F AA E2 45 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000245E2AB4EF0, 16 bytes long.
 Data: <p &#170;&#226;E           > 70 8F AA E2 45 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000245E2AB5D50, 16 bytes long.
 Data: <H &#170;&#226;E           > 48 8F AA E2 45 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000245E2AB5580, 16 bytes long.
 Data: <  &#170;&#226;E           > 20 8F AA E2 45 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000245E2AB54E0, 16 bytes long.
 Data: <&#248;&#142;&#170;&#226;E           > F8 8E AA E2 45 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000245E2AB0B00, 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 0x00000245E2AB5260, 16 bytes long.
 Data: <&#208;&#142;&#170;&#226;E           > D0 8E AA E2 45 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000245E2AA8ED0, 320 bytes long.
 Data: <`R&#171;&#226;E     &#171;&#226;E   > 60 52 AB E2 45 02 00 00 00 0B AB E2 45 02 00 00 
{275} normal block at 0x00000245E2AB5DA0, 16 bytes long.
 Data: <&#240;`&#171;&#226;E           > F0 60 AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000245E2AB5A30, 16 bytes long.
 Data: <&#200;`&#171;&#226;E           > C8 60 AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000245E2AB0620, 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 0x00000245E2AB51C0, 16 bytes long.
 Data: <&#160;`&#171;&#226;E           > A0 60 AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000245E2AB0860, 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 0x00000245E2AB5710, 16 bytes long.
 Data: <&#232;_&#171;&#226;E           > E8 5F AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000245E2AB5B20, 16 bytes long.
 Data: <&#192;_&#171;&#226;E           > C0 5F AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000245E2AB5440, 16 bytes long.
 Data: < _&#171;&#226;E           > 98 5F AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000245E2AB5490, 16 bytes long.
 Data: <p_&#171;&#226;E           > 70 5F AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000245E2AB58F0, 16 bytes long.
 Data: <H_&#171;&#226;E           > 48 5F AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000245E2AB59E0, 16 bytes long.
 Data: < _&#171;&#226;E           > 20 5F AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000245E2AB5350, 16 bytes long.
 Data: <&#160;&#203;&#169;&#226;E           > A0 CB A9 E2 45 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000245E2A9CBA0, 40 bytes long.
 Data: <PS&#171;&#226;E   pC&#133;&#228;E   > 50 53 AB E2 45 02 00 00 70 43 85 E4 45 02 00 00 
{261} normal block at 0x00000245E2AB5B70, 16 bytes long.
 Data: < _&#171;&#226;E           > 00 5F AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000245E2AB4F40, 16 bytes long.
 Data: <&#216;^&#171;&#226;E           > D8 5E AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000245E2AB0C20, 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 0x00000245E2AB5300, 16 bytes long.
 Data: <&#176;^&#171;&#226;E           > B0 5E AB E2 45 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000245E2AB5EB0, 992 bytes long.
 Data: < S&#171;&#226;E     &#171;&#226;E   > 00 53 AB E2 45 02 00 00 20 0C AB E2 45 02 00 00 
{93} normal block at 0x00000245E2AB0380, 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 0x00000245E2AAF140, 16 bytes long.
 Data: <&#224;D&#170;&#226;E           > E0 44 AA E2 45 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000245E2AA44E0, 40 bytes long.
 Data: <@&#241;&#170;&#226;E     &#171;&#226;E   > 40 F1 AA E2 45 02 00 00 80 03 AB E2 45 02 00 00 
{70} normal block at 0x00000245E2AAFB90, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000245E2AAF500, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000245E2AAF000, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000245E2AAF230, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000245E2AAF550, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000245E2AAF5A0, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000245E2AAF1E0, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000245E2AAEEC0, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000245E2AAEDD0, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000245E2AAFC80, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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