Task 38670206

Name test_902-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5885_0
Workunit 31612468
Created 25 Oct 2026, 16:47:19 UTC
Sent 25 Oct 2026, 16:47:26 UTC
Report deadline 30 Oct 2026, 16:47:26 UTC
Received 25 Oct 2026, 17:26:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624458
Run time 19 min 31 sec
CPU time 19 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,355.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.91 MB
Peak swap size 13.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:07:23 (18140): wrapper (7.9.26016): starting
13:07:23 (18140): 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
13:07:24 (18140): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:07:24 (18140): 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
13:26:15 (18140): C:/Windows/system32/cmd.exe exited; CPU time 1146.625000
13:26:15 (18140): 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: 15960657 bytes.
Dumping objects ->
{3835562} normal block at 0x00000236CC17ACA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x00000236CC17B100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x00000236CC17AB50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835529} normal block at 0x00000236CC17B6B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x00000236CC17B2C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835487} normal block at 0x00000236CC179CC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x00000236CDFDE880, 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) : {3835473} normal block at 0x00000236CC14F470, 8 bytes long.
 Data: <  j&#204;6   > 00 00 6A CC 36 02 00 00 
{3834695} normal block at 0x00000236CDFDE670, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000236CC14EE30, 8 bytes long.
 Data: <&#208;H &#206;6   > D0 48 02 CE 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000236CC150FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000236CC146CE0, 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 0x00000236CC155C60, 16 bytes long.
 Data: <&#168;W &#204;6           > A8 57 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000236CC156340, 16 bytes long.
 Data: < W &#204;6           > 80 57 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000236CC14FB10, 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 0x00000236CC155A80, 16 bytes long.
 Data: <XW &#204;6           > 58 57 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000236CC155D50, 16 bytes long.
 Data: <0W &#204;6           > 30 57 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000236CC155D00, 16 bytes long.
 Data: < W &#204;6           > 08 57 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000236CC156070, 16 bytes long.
 Data: <&#224;V &#204;6           > E0 56 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000236CC153880, 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 0x00000236CC1565C0, 16 bytes long.
 Data: <&#232;&#182; &#204;6           > E8 B6 13 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000236CC1506B0, 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 0x00000236CC156660, 16 bytes long.
 Data: <&#192;&#182; &#204;6           > C0 B6 13 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000236CC1558F0, 16 bytes long.
 Data: < &#182; &#204;6           > 98 B6 13 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000236CC155C10, 16 bytes long.
 Data: <p&#182; &#204;6           > 70 B6 13 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000236CC1562F0, 16 bytes long.
 Data: <H&#182; &#204;6           > 48 B6 13 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000236CC156250, 16 bytes long.
 Data: < &#182; &#204;6           > 20 B6 13 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000236CC156750, 16 bytes long.
 Data: <&#248;&#181; &#204;6           > F8 B5 13 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000236CC14FF90, 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 0x00000236CC155AD0, 16 bytes long.
 Data: <&#208;&#181; &#204;6           > D0 B5 13 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000236CC13B5D0, 320 bytes long.
 Data: <&#208;Z &#204;6    &#255; &#204;6   > D0 5A 15 CC 36 02 00 00 90 FF 14 CC 36 02 00 00 
{279} normal block at 0x00000236CC155B70, 16 bytes long.
 Data: <&#192;V &#204;6           > C0 56 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000236CC156610, 16 bytes long.
 Data: < V &#204;6           > 98 56 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000236CC150590, 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 0x00000236CC155BC0, 16 bytes long.
 Data: <pV &#204;6           > 70 56 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000236CC14FCF0, 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 0x00000236CC156160, 16 bytes long.
 Data: <&#184;U &#204;6           > B8 55 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000236CC155E40, 16 bytes long.
 Data: < U &#204;6           > 90 55 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000236CC155CB0, 16 bytes long.
 Data: <hU &#204;6           > 68 55 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000236CC156520, 16 bytes long.
 Data: <@U &#204;6           > 40 55 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000236CC155DF0, 16 bytes long.
 Data: < U &#204;6           > 18 55 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000236CC14F8D0, 16 bytes long.
 Data: <&#240;T &#204;6           > F0 54 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000236CC14F6F0, 16 bytes long.
 Data: <&#176;: &#204;6           > B0 3A 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000236CC153AB0, 40 bytes long.
 Data: <&#240;&#246; &#204;6   &#192;&#156; &#204;6   > F0 F6 14 CC 36 02 00 00 C0 9C 17 CC 36 02 00 00 
{265} normal block at 0x00000236CC14F5B0, 16 bytes long.
 Data: <&#208;T &#204;6           > D0 54 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000236CC14F560, 16 bytes long.
 Data: <&#168;T &#204;6           > A8 54 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000236CC1503B0, 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 0x00000236CC14F880, 16 bytes long.
 Data: < T &#204;6           > 80 54 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000236CC155480, 992 bytes long.
 Data: < &#248; &#204;6   &#176;  &#204;6   > 80 F8 14 CC 36 02 00 00 B0 03 15 CC 36 02 00 00 
{97} normal block at 0x00000236CC150650, 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 0x00000236CC14F740, 16 bytes long.
 Data: <&#192;= &#204;6           > C0 3D 15 CC 36 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000236CC153DC0, 40 bytes long.
 Data: <@&#247; &#204;6   P  &#204;6   > 40 F7 14 CC 36 02 00 00 50 06 15 CC 36 02 00 00 
{74} normal block at 0x00000236CC14F6A0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000236CC14ED90, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000236CC14EBB0, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000236CC14EB60, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000236CC14F600, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000236CC14EC50, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000236CC14F420, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000236CC14ECA0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000236CC14EA20, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000236CC14F290, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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