Task 38688231

Name test_423-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7893_0
Workunit 31629591
Created 28 Oct 2026, 12:34:08 UTC
Sent 28 Oct 2026, 12:34:14 UTC
Report deadline 2 Nov 2026, 12:34:14 UTC
Received 28 Oct 2026, 13:43:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642289
Run time 1 hours 2 min 7 sec
CPU time 58 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.16 MB
Peak swap size 6.91 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:43:12 (40460): wrapper (7.9.26016): starting
08:43:12 (40460): 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
08:43:14 (40460): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:43:14 (40460): 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\11\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\11\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
09:43:32 (40460): C:/Windows/system32/cmd.exe exited; CPU time 3490.828125
09:43:32 (40460): 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: 74937695 bytes.
Dumping objects ->
{3835525} normal block at 0x0000022F39DE3A20, 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 0x0000022F39DE3320, 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 0x0000022F39DE3860, 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 0x0000022F39DE37F0, 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 0x0000022F39DE2FA0, 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 0x0000022F39D0D290, 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) : {3835437} normal block at 0x0000022F3807D500, 8 bytes long.
 Data: <  Q8/   > 00 00 51 38 2F 02 00 00 
{3833969} normal block at 0x0000022F3807D6E0, 8 bytes long.
 Data: < F 8/   > 90 46 08 38 2F 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022F38080B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022F38075D60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000022F38085340, 16 bytes long.
 Data: <&#248;^ 8/           > F8 5E 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022F38084E90, 16 bytes long.
 Data: <&#208;^ 8/           > D0 5E 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022F3807EC00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000022F380856B0, 16 bytes long.
 Data: <&#168;^ 8/           > A8 5E 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022F38084D00, 16 bytes long.
 Data: < ^ 8/           > 80 5E 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022F38085160, 16 bytes long.
 Data: <X^ 8/           > 58 5E 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022F38085520, 16 bytes long.
 Data: <0^ 8/           > 30 5E 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022F38083990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000022F380854D0, 16 bytes long.
 Data: <H&#184; 8/           > 48 B8 06 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022F3807F140, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000022F38084D50, 16 bytes long.
 Data: < &#184; 8/           > 20 B8 06 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022F380857A0, 16 bytes long.
 Data: <&#248;&#183; 8/           > F8 B7 06 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022F38085660, 16 bytes long.
 Data: <&#208;&#183; 8/           > D0 B7 06 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022F38085610, 16 bytes long.
 Data: <&#168;&#183; 8/           > A8 B7 06 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022F380850C0, 16 bytes long.
 Data: < &#183; 8/           > 80 B7 06 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022F38085B10, 16 bytes long.
 Data: <X&#183; 8/           > 58 B7 06 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022F3807EB40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000022F38085750, 16 bytes long.
 Data: <0&#183; 8/           > 30 B7 06 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022F3806B730, 320 bytes long.
 Data: <PW 8/   @&#235; 8/   > 50 57 08 38 2F 02 00 00 40 EB 07 38 2F 02 00 00 
{280} normal block at 0x0000022F38085AC0, 16 bytes long.
 Data: < ^ 8/           > 10 5E 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022F38085110, 16 bytes long.
 Data: <&#232;] 8/           > E8 5D 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022F3807EFC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000022F380852A0, 16 bytes long.
 Data: <&#192;] 8/           > C0 5D 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022F3807E4E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000022F38084F80, 16 bytes long.
 Data: < ] 8/           > 08 5D 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022F38085250, 16 bytes long.
 Data: <&#224;\ 8/           > E0 5C 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022F38084FD0, 16 bytes long.
 Data: <&#184;\ 8/           > B8 5C 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022F38085430, 16 bytes long.
 Data: < \ 8/           > 90 5C 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022F38085A20, 16 bytes long.
 Data: <h\ 8/           > 68 5C 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022F380855C0, 16 bytes long.
 Data: <@\ 8/           > 40 5C 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022F38085700, 16 bytes long.
 Data: <&#240;6 8/           > F0 36 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022F380836F0, 40 bytes long.
 Data: < W 8/    &#210;&#208;9/   > 00 57 08 38 2F 02 00 00 90 D2 D0 39 2F 02 00 00 
{266} normal block at 0x0000022F38084EE0, 16 bytes long.
 Data: < \ 8/           > 20 5C 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022F380851B0, 16 bytes long.
 Data: <&#248;[ 8/           > F8 5B 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022F3807E660, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000022F38084F30, 16 bytes long.
 Data: <&#208;[ 8/           > D0 5B 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022F38085BD0, 992 bytes long.
 Data: <0O 8/   `&#230; 8/   > 30 4F 08 38 2F 02 00 00 60 E6 07 38 2F 02 00 00 
{98} normal block at 0x0000022F3807E600, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000022F3807D4B0, 16 bytes long.
 Data: <p3 8/           > 70 33 08 38 2F 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000022F38083370, 40 bytes long.
 Data: <&#176;&#212; 8/    &#230; 8/   > B0 D4 07 38 2F 02 00 00 00 E6 07 38 2F 02 00 00 
{75} normal block at 0x0000022F3807D640, 16 bytes long.
 Data: < &#234;&#208;P&#247;           > 80 EA D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022F3807CF10, 16 bytes long.
 Data: <@&#233;&#208;P&#247;           > 40 E9 D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022F3807CD80, 16 bytes long.
 Data: <&#248;W&#205;P&#247;           > F8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022F3807CA60, 16 bytes long.
 Data: <&#216;W&#205;P&#247;           > D8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022F3807CBF0, 16 bytes long.
 Data: <P &#205;P&#247;           > 50 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022F3807D0F0, 16 bytes long.
 Data: <0 &#205;P&#247;           > 30 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022F3807D460, 16 bytes long.
 Data: <&#224; &#205;P&#247;           > E0 02 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022F3807CF60, 16 bytes long.
 Data: <  &#205;P&#247;           > 10 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022F3807D7D0, 16 bytes long.
 Data: <p &#205;P&#247;           > 70 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022F3807D410, 16 bytes long.
 Data: < &#192;&#203;P&#247;           > 18 C0 CB 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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