Task 38680019

Name test_901-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6361_0
Workunit 31621765
Created 26 Oct 2026, 22:31:57 UTC
Sent 26 Oct 2026, 22:32:03 UTC
Report deadline 31 Oct 2026, 22:32:03 UTC
Received 26 Oct 2026, 23:20:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 22 min 28 sec
CPU time 21 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.96 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:56:45 (27312): wrapper (7.9.26016): starting
18:56:45 (27312): 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
18:56:46 (27312): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:56:46 (27312): 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
19:19:14 (27312): C:/Windows/system32/cmd.exe exited; CPU time 1285.812500
19:19:14 (27312): 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: 26386751 bytes.
Dumping objects ->
{3835256} normal block at 0x0000023A607B8BF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000023A607B88E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000023A607B8E90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x0000023A607B8720, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000023A607B8800, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x0000023A624AF420, 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) : {3835168} normal block at 0x0000023A6078BFD0, 8 bytes long.
 Data: <  &#206;`:   > 00 00 CE 60 3A 02 00 00 
{3833967} normal block at 0x0000023A6078CDE0, 8 bytes long.
 Data: < -y`:   > 00 2D 79 60 3A 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000023A6075DE90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000023A607916D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000023A60795B60, 16 bytes long.
 Data: <&#184;by`:           > B8 62 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023A607957F0, 16 bytes long.
 Data: < by`:           > 90 62 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023A60785B80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000023A60795C00, 16 bytes long.
 Data: <hby`:           > 68 62 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023A60795C50, 16 bytes long.
 Data: <@by`:           > 40 62 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023A60795480, 16 bytes long.
 Data: < by`:           > 18 62 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023A607957A0, 16 bytes long.
 Data: <&#240;ay`:           > F0 61 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023A6078E600, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000023A60795700, 16 bytes long.
 Data: < &#191;u`:           > 98 BF 75 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023A60785580, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000023A60795430, 16 bytes long.
 Data: <p&#191;u`:           > 70 BF 75 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023A60795250, 16 bytes long.
 Data: <H&#191;u`:           > 48 BF 75 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023A60795340, 16 bytes long.
 Data: < &#191;u`:           > 20 BF 75 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023A607952F0, 16 bytes long.
 Data: <&#248;&#190;u`:           > F8 BE 75 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023A607950C0, 16 bytes long.
 Data: <&#208;&#190;u`:           > D0 BE 75 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023A60795610, 16 bytes long.
 Data: <&#168;&#190;u`:           > A8 BE 75 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023A60785700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000023A60795B10, 16 bytes long.
 Data: < &#190;u`:           > 80 BE 75 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023A6075BE80, 320 bytes long.
 Data: < [y`:    Wx`:   > 10 5B 79 60 3A 02 00 00 00 57 78 60 3A 02 00 00 
{279} normal block at 0x0000023A60795070, 16 bytes long.
 Data: <&#208;ay`:           > D0 61 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023A60795750, 16 bytes long.
 Data: <&#168;ay`:           > A8 61 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023A60785CA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000023A60795AC0, 16 bytes long.
 Data: < ay`:           > 80 61 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023A60785D00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000023A607958E0, 16 bytes long.
 Data: <&#200;`y`:           > C8 60 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023A60795F20, 16 bytes long.
 Data: <&#160;`y`:           > A0 60 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023A60795DE0, 16 bytes long.
 Data: <x`y`:           > 78 60 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023A607953E0, 16 bytes long.
 Data: <P`y`:           > 50 60 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023A60795A70, 16 bytes long.
 Data: <(`y`:           > 28 60 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023A60795BB0, 16 bytes long.
 Data: < `y`:           > 00 60 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023A607952A0, 16 bytes long.
 Data: <&#176;&#228;x`:           > B0 E4 78 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023A6078E4B0, 40 bytes long.
 Data: <&#160;Ry`:    &#244;Jb:   > A0 52 79 60 3A 02 00 00 20 F4 4A 62 3A 02 00 00 
{265} normal block at 0x0000023A60795570, 16 bytes long.
 Data: <&#224;_y`:           > E0 5F 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023A60795660, 16 bytes long.
 Data: <&#184;_y`:           > B8 5F 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023A60785640, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000023A60795390, 16 bytes long.
 Data: < _y`:           > 90 5F 79 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023A60795F90, 992 bytes long.
 Data: < Sy`:   @Vx`:   > 90 53 79 60 3A 02 00 00 40 56 78 60 3A 02 00 00 
{97} normal block at 0x0000023A607855E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000023A6078C250, 16 bytes long.
 Data: <@&#235;x`:           > 40 EB 78 60 3A 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000023A6078EB40, 40 bytes long.
 Data: <P&#194;x`:   &#224;Ux`:   > 50 C2 78 60 3A 02 00 00 E0 55 78 60 3A 02 00 00 
{74} normal block at 0x0000023A6078CC50, 16 bytes long.
 Data: < &#234;&#167;U&#247;           > 80 EA A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000023A6078C3E0, 16 bytes long.
 Data: <@&#233;&#167;U&#247;           > 40 E9 A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023A6078C6B0, 16 bytes long.
 Data: <&#248;W&#164;U&#247;           > F8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023A6078CA70, 16 bytes long.
 Data: <&#216;W&#164;U&#247;           > D8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023A6078CD40, 16 bytes long.
 Data: <P &#164;U&#247;           > 50 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023A6078CCF0, 16 bytes long.
 Data: <0 &#164;U&#247;           > 30 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023A6078CB10, 16 bytes long.
 Data: <&#224; &#164;U&#247;           > E0 02 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023A6078C700, 16 bytes long.
 Data: <  &#164;U&#247;           > 10 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023A6078C1B0, 16 bytes long.
 Data: <p &#164;U&#247;           > 70 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023A6078C390, 16 bytes long.
 Data: < &#192;&#162;U&#247;           > 18 C0 A2 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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