Task 38679769

Name test_31-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6856_0
Workunit 31621532
Created 26 Oct 2026, 21:42:10 UTC
Sent 26 Oct 2026, 21:42:17 UTC
Report deadline 31 Oct 2026, 21:42:17 UTC
Received 26 Oct 2026, 22:58:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 24 min
CPU time 22 min 51 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 710.59 MB
Peak swap size 6.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:32:01 (3476): wrapper (7.9.26016): starting
18:32:01 (3476): 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
18:32:02 (3476): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:32:02 (3476): 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
18:56:00 (3476): C:/Windows/system32/cmd.exe exited; CPU time 1371.000000
18:56:00 (3476): 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: 27815563 bytes.
Dumping objects ->
{3835256} normal block at 0x0000027FC7F891A0, 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 0x0000027FC7F89280, 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 0x0000027FC7F884F0, 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 0x0000027FC7F88E20, 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 0x0000027FC7F88D40, 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 0x0000027FC9C3E720, 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 0x0000027FC7F5CED0, 8 bytes long.
 Data: <  &#234;&#199;    > 00 00 EA C7 7F 02 00 00 
{3833967} normal block at 0x0000027FC7F5C0C0, 8 bytes long.
 Data: < -&#246;&#199;    > 00 2D F6 C7 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000027FC7F2ED90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027FC7F62450, 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 0x0000027FC7F65750, 16 bytes long.
 Data: <&#184;b&#246;&#199;            > B8 62 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027FC7F65430, 16 bytes long.
 Data: < b&#246;&#199;            > 90 62 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027FC7F555E0, 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 0x0000027FC7F652A0, 16 bytes long.
 Data: <hb&#246;&#199;            > 68 62 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027FC7F658E0, 16 bytes long.
 Data: <@b&#246;&#199;            > 40 62 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027FC7F656B0, 16 bytes long.
 Data: < b&#246;&#199;            > 18 62 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027FC7F65340, 16 bytes long.
 Data: <&#240;a&#246;&#199;            > F0 61 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027FC7F5E670, 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 0x0000027FC7F651B0, 16 bytes long.
 Data: < &#191;&#242;&#199;            > 98 BF F2 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027FC7F55C40, 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 0x0000027FC7F65B60, 16 bytes long.
 Data: <p&#191;&#242;&#199;            > 70 BF F2 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027FC7F65700, 16 bytes long.
 Data: <H&#191;&#242;&#199;            > 48 BF F2 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027FC7F655C0, 16 bytes long.
 Data: < &#191;&#242;&#199;            > 20 BF F2 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027FC7F65980, 16 bytes long.
 Data: <&#248;&#190;&#242;&#199;            > F8 BE F2 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027FC7F654D0, 16 bytes long.
 Data: <&#208;&#190;&#242;&#199;            > D0 BE F2 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027FC7F650C0, 16 bytes long.
 Data: <&#168;&#190;&#242;&#199;            > A8 BE F2 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027FC7F55AC0, 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 0x0000027FC7F65020, 16 bytes long.
 Data: < &#190;&#242;&#199;            > 80 BE F2 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027FC7F2BE80, 320 bytes long.
 Data: < P&#246;&#199;    &#192;Z&#245;&#199;    > 20 50 F6 C7 7F 02 00 00 C0 5A F5 C7 7F 02 00 00 
{279} normal block at 0x0000027FC7F653E0, 16 bytes long.
 Data: <&#208;a&#246;&#199;            > D0 61 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027FC7F65890, 16 bytes long.
 Data: <&#168;a&#246;&#199;            > A8 61 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027FC7F55820, 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 0x0000027FC7F652F0, 16 bytes long.
 Data: < a&#246;&#199;            > 80 61 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027FC7F55520, 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 0x0000027FC7F65D90, 16 bytes long.
 Data: <&#200;`&#246;&#199;            > C8 60 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027FC7F65D40, 16 bytes long.
 Data: <&#160;`&#246;&#199;            > A0 60 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027FC7F64FD0, 16 bytes long.
 Data: <x`&#246;&#199;            > 78 60 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027FC7F65F20, 16 bytes long.
 Data: <P`&#246;&#199;            > 50 60 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027FC7F65160, 16 bytes long.
 Data: <(`&#246;&#199;            > 28 60 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027FC7F65610, 16 bytes long.
 Data: < `&#246;&#199;            > 00 60 F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027FC7F65110, 16 bytes long.
 Data: <&#224;&#230;&#245;&#199;            > E0 E6 F5 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027FC7F5E6E0, 40 bytes long.
 Data: < Q&#246;&#199;     &#231;&#195;&#201;    > 10 51 F6 C7 7F 02 00 00 20 E7 C3 C9 7F 02 00 00 
{265} normal block at 0x0000027FC7F65390, 16 bytes long.
 Data: <&#224;_&#246;&#199;            > E0 5F F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027FC7F65ED0, 16 bytes long.
 Data: <&#184;_&#246;&#199;            > B8 5F F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027FC7F56240, 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 0x0000027FC7F659D0, 16 bytes long.
 Data: < _&#246;&#199;            > 90 5F F6 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027FC7F65F90, 992 bytes long.
 Data: <&#208;Y&#246;&#199;    @b&#245;&#199;    > D0 59 F6 C7 7F 02 00 00 40 62 F5 C7 7F 02 00 00 
{97} normal block at 0x0000027FC7F55760, 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 0x0000027FC7F5C980, 16 bytes long.
 Data: < &#229;&#245;&#199;            > 90 E5 F5 C7 7F 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000027FC7F5E590, 40 bytes long.
 Data: < &#201;&#245;&#199;    `W&#245;&#199;    > 80 C9 F5 C7 7F 02 00 00 60 57 F5 C7 7F 02 00 00 
{74} normal block at 0x0000027FC7F5C610, 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 0x0000027FC7F5C1B0, 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 0x0000027FC7F5CD90, 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 0x0000027FC7F5C480, 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 0x0000027FC7F5CDE0, 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 0x0000027FC7F5CF20, 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 0x0000027FC7F5CB10, 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 0x0000027FC7F5C110, 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 0x0000027FC7F5CA20, 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 0x0000027FC7F5C2F0, 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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