Task 38681229

Name test_816-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6974_0
Workunit 31622905
Created 27 Oct 2026, 3:09:42 UTC
Sent 27 Oct 2026, 3:09:56 UTC
Report deadline 1 Nov 2026, 3:09:56 UTC
Received 27 Oct 2026, 9:26:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 43 min 39 sec
CPU time 33 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.62 MB
Peak swap size 5.39 GB
Peak disk usage 3.32 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
04:43:24 (9484): wrapper (7.9.26016): starting
04:43:28 (9484): 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
04:43:36 (9484): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:43:46 (9484): 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\Boinc2\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\Boinc2\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
05:25:22 (9484): C:/Windows/system32/cmd.exe exited; CPU time 2034.468750
05:25:22 (9484): 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: 31571563 bytes.
Dumping objects ->
{3835333} normal block at 0x00000174D1B29050, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835322} normal block at 0x00000174D1B28DB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835311} normal block at 0x00000174D1B28950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835300} normal block at 0x00000174D1B28CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x00000174D1B28C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835258} normal block at 0x00000174D1ACB720, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x00000174D1B2CCB0, 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) : {3835243} normal block at 0x00000174CFF26430, 8 bytes long.
 Data: <  &#240;&#207;t   > 00 00 F0 CF 74 01 00 00 
{3834581} normal block at 0x00000174D1B2CEC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000174CFF265C0, 8 bytes long.
 Data: <`r&#166;&#209;t   > 60 72 A6 D1 74 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000174CFF2FFE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000174CFF15D50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000174CFF31C00, 16 bytes long.
 Data: <h7&#243;&#207;t           > 68 37 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000174CFF31B10, 16 bytes long.
 Data: <@7&#243;&#207;t           > 40 37 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000174CFF2CA80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000174CFF31930, 16 bytes long.
 Data: < 7&#243;&#207;t           > 18 37 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000174CFF31ED0, 16 bytes long.
 Data: <&#240;6&#243;&#207;t           > F0 36 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000174CFF31610, 16 bytes long.
 Data: <&#200;6&#243;&#207;t           > C8 36 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000174CFF31AC0, 16 bytes long.
 Data: <&#160;6&#243;&#207;t           > A0 36 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000174CFF2B7F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000174CFF31A70, 16 bytes long.
 Data: <&#232;\&#241;&#207;t           > E8 5C F1 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000174CFF2D2C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000174CFF31D90, 16 bytes long.
 Data: <&#192;\&#241;&#207;t           > C0 5C F1 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000174CFF318E0, 16 bytes long.
 Data: < \&#241;&#207;t           > 98 5C F1 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000174CFF31D40, 16 bytes long.
 Data: <p\&#241;&#207;t           > 70 5C F1 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000174CFF31520, 16 bytes long.
 Data: <H\&#241;&#207;t           > 48 5C F1 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000174CFF31890, 16 bytes long.
 Data: < \&#241;&#207;t           > 20 5C F1 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000174CFF31840, 16 bytes long.
 Data: <&#248;[&#241;&#207;t           > F8 5B F1 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000174CFF2D020, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x00000174CFF317A0, 16 bytes long.
 Data: <&#208;[&#241;&#207;t           > D0 5B F1 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000174CFF15BD0, 320 bytes long.
 Data: <&#160; &#243;&#207;t    &#208;&#242;&#207;t   > A0 17 F3 CF 74 01 00 00 20 D0 F2 CF 74 01 00 00 
{270} normal block at 0x00000174CFF31570, 16 bytes long.
 Data: < 6&#243;&#207;t           > 80 36 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000174CFF310C0, 16 bytes long.
 Data: <X6&#243;&#207;t           > 58 36 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000174CFF2D1A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000174CFF31340, 16 bytes long.
 Data: <06&#243;&#207;t           > 30 36 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000174CFF2C7E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000174CFF316B0, 16 bytes long.
 Data: <x5&#243;&#207;t           > 78 35 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000174CFF31070, 16 bytes long.
 Data: <P5&#243;&#207;t           > 50 35 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000174CFF31E80, 16 bytes long.
 Data: <(5&#243;&#207;t           > 28 35 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000174CFF31F20, 16 bytes long.
 Data: < 5&#243;&#207;t           > 00 35 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000174CFF31A20, 16 bytes long.
 Data: <&#216;4&#243;&#207;t           > D8 34 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000174CFF31FC0, 16 bytes long.
 Data: <&#176;4&#243;&#207;t           > B0 34 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000174CFF31DE0, 16 bytes long.
 Data: <0&#182;&#242;&#207;t           > 30 B6 F2 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000174CFF2B630, 40 bytes long.
 Data: <&#224; &#243;&#207;t    &#183;&#172;&#209;t   > E0 1D F3 CF 74 01 00 00 20 B7 AC D1 74 01 00 00 
{256} normal block at 0x00000174CFF314D0, 16 bytes long.
 Data: < 4&#243;&#207;t           > 90 34 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000174CFF317F0, 16 bytes long.
 Data: <h4&#243;&#207;t           > 68 34 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000174CFF2D200, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000174CFF31430, 16 bytes long.
 Data: <@4&#243;&#207;t           > 40 34 F3 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000174CFF33440, 992 bytes long.
 Data: <0 &#243;&#207;t    &#210;&#242;&#207;t   > 30 14 F3 CF 74 01 00 00 00 D2 F2 CF 74 01 00 00 
{88} normal block at 0x00000174CFF2D140, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000174CFF26930, 16 bytes long.
 Data: <&#160;&#182;&#242;&#207;t           > A0 B6 F2 CF 74 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000174CFF2B6A0, 40 bytes long.
 Data: <0i&#242;&#207;t   @&#209;&#242;&#207;t   > 30 69 F2 CF 74 01 00 00 40 D1 F2 CF 74 01 00 00 
{65} normal block at 0x00000174CFF266B0, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000174CFF27150, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000174CFF26B60, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000174CFF270B0, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000174CFF26A70, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000174CFF269D0, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000174CFF26D40, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000174CFF26CF0, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000174CFF268E0, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000174CFF27380, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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