Task 38687410

Name test_171-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3116_0
Workunit 31628801
Created 28 Oct 2026, 7:40:18 UTC
Sent 28 Oct 2026, 7:40:25 UTC
Report deadline 2 Nov 2026, 7:40:25 UTC
Received 28 Oct 2026, 8:31:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 24 min 16 sec
CPU time 16 min 50 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 761.02 MB
Peak swap size 11.52 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:11:13 (18588): wrapper (7.9.26016): starting
04:11:13 (18588): 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
04:11:14 (18588): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:11:14 (18588): 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\13\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\13\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
04:30:07 (18588): C:/Windows/system32/cmd.exe exited; CPU time 1010.265625
04:30:07 (18588): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22657319 bytes.
Dumping objects ->
{3835525} normal block at 0x00000221E9DB2E00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x00000221E9DB2D90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x00000221E9DB3180, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x00000221E9DB31F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000221E9DB3490, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x00000221EBBE95A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x00000221E9E18880, 140 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) : {3835436} normal block at 0x00000221E9DAE630, 8 bytes long.
 Data: <  *&#234;!   > 00 00 2A EA 21 02 00 00 
{3834686} normal block at 0x00000221E9E18FD0, 140 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 0x00000221E9DAE540, 8 bytes long.
 Data: < &#234;&#175;&#235;!   > 00 EA AF EB 21 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000221E9DA6DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000221E9DA7450, 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 0x00000221E9DB3BE0, 16 bytes long.
 Data: < L&#219;&#233;!           > 88 4C DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000221E9DB4270, 16 bytes long.
 Data: <`L&#219;&#233;!           > 60 4C DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000221E9DAFD10, 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 0x00000221E9DB3FA0, 16 bytes long.
 Data: <8L&#219;&#233;!           > 38 4C DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000221E9DB3910, 16 bytes long.
 Data: < L&#219;&#233;!           > 10 4C DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000221E9DB3F50, 16 bytes long.
 Data: <&#232;K&#219;&#233;!           > E8 4B DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000221E9DB3AF0, 16 bytes long.
 Data: <&#192;K&#219;&#233;!           > C0 4B DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000221E9DB2EE0, 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 0x00000221E9DB4220, 16 bytes long.
 Data: <(&#166;&#218;&#233;!           > 28 A6 DA E9 21 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000221E9DAF170, 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 0x00000221E9DB4090, 16 bytes long.
 Data: < &#166;&#218;&#233;!           > 00 A6 DA E9 21 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000221E9DB4360, 16 bytes long.
 Data: <&#216;&#165;&#218;&#233;!           > D8 A5 DA E9 21 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000221E9DB4040, 16 bytes long.
 Data: <&#176;&#165;&#218;&#233;!           > B0 A5 DA E9 21 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000221E9DB41D0, 16 bytes long.
 Data: < &#165;&#218;&#233;!           > 88 A5 DA E9 21 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000221E9DB3F00, 16 bytes long.
 Data: <`&#165;&#218;&#233;!           > 60 A5 DA E9 21 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000221E9DB3EB0, 16 bytes long.
 Data: <8&#165;&#218;&#233;!           > 38 A5 DA E9 21 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000221E9DAFBF0, 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 0x00000221E9DB4130, 16 bytes long.
 Data: < &#165;&#218;&#233;!           > 10 A5 DA E9 21 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000221E9DAA510, 320 bytes long.
 Data: <0A&#219;&#233;!   &#240;&#251;&#218;&#233;!   > 30 41 DB E9 21 02 00 00 F0 FB DA E9 21 02 00 00 
{274} normal block at 0x00000221E9DB4310, 16 bytes long.
 Data: <&#160;K&#219;&#233;!           > A0 4B DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000221E9DB3FF0, 16 bytes long.
 Data: <xK&#219;&#233;!           > 78 4B DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000221E9DAF710, 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 0x00000221E9DB3DC0, 16 bytes long.
 Data: <PK&#219;&#233;!           > 50 4B DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000221E9DAFB90, 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 0x00000221E9DB3690, 16 bytes long.
 Data: < J&#219;&#233;!           > 98 4A DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000221E9DB4180, 16 bytes long.
 Data: <pJ&#219;&#233;!           > 70 4A DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000221E9DB3A50, 16 bytes long.
 Data: <HJ&#219;&#233;!           > 48 4A DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000221E9DB38C0, 16 bytes long.
 Data: < J&#219;&#233;!           > 20 4A DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000221E9DB3E60, 16 bytes long.
 Data: <&#248;I&#219;&#233;!           > F8 49 DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000221E9DB3CD0, 16 bytes long.
 Data: <&#208;I&#219;&#233;!           > D0 49 DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000221E9DB3D70, 16 bytes long.
 Data: <&#176;3&#219;&#233;!           > B0 33 DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000221E9DB33B0, 40 bytes long.
 Data: <p=&#219;&#233;!   &#160;&#149;&#190;&#235;!   > 70 3D DB E9 21 02 00 00 A0 95 BE EB 21 02 00 00 
{260} normal block at 0x00000221E9DB3B90, 16 bytes long.
 Data: <&#176;I&#219;&#233;!           > B0 49 DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000221E9DB3E10, 16 bytes long.
 Data: < I&#219;&#233;!           > 88 49 DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000221E9DAEF30, 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 0x00000221E9DB3730, 16 bytes long.
 Data: <`I&#219;&#233;!           > 60 49 DB E9 21 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000221E9DB4960, 992 bytes long.
 Data: <07&#219;&#233;!   0&#239;&#218;&#233;!   > 30 37 DB E9 21 02 00 00 30 EF DA E9 21 02 00 00 
{92} normal block at 0x00000221E9DAF110, 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 0x00000221E9DAEBD0, 16 bytes long.
 Data: < &#253;&#217;&#233;!           > 80 FD D9 E9 21 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000221E9D9FD80, 40 bytes long.
 Data: <&#208;&#235;&#218;&#233;!    &#241;&#218;&#233;!   > D0 EB DA E9 21 02 00 00 10 F1 DA E9 21 02 00 00 
{69} normal block at 0x00000221E9DAEDB0, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000221E9DAE770, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000221E9DAE8B0, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000221E9DAECC0, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000221E9DAE130, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000221E9DAE090, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000221E9DAEA90, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000221E9DADFF0, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000221E9DADFA0, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000221E9DAE360, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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