Task 38671854

Name test_877-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6011_1
Workunit 31613423
Created 25 Oct 2026, 21:46:10 UTC
Sent 25 Oct 2026, 21:46:12 UTC
Report deadline 30 Oct 2026, 21:46:12 UTC
Received 26 Oct 2026, 0:35:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 48 min 52 sec
CPU time 44 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.05 MB
Peak swap size 8.40 GB
Peak disk usage 3.42 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:47:48 (30244): wrapper (7.9.26016): starting
19:47:48 (30244): 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
19:47:50 (30244): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:47:50 (30244): 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\16\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\16\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
20:34:46 (30244): C:/Windows/system32/cmd.exe exited; CPU time 2661.453125
20:34:46 (30244): 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: 53021917 bytes.
Dumping objects ->
{3835262} normal block at 0x000002431B2F3220, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x000002431B2F3F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000002431B2F4020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x00000243195548F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000243195547A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000002431B266F40, 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) : {3835174} normal block at 0x000002431954F590, 8 bytes long.
 Data: <  &#162; C   > 00 00 A2 19 43 02 00 00 
{3833959} normal block at 0x000002431954EFF0, 8 bytes long.
 Data: < @U C   > 20 40 55 19 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024319551420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024319546610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000024319555F10, 16 bytes long.
 Data: <&#168;UU C           > A8 55 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024319555D30, 16 bytes long.
 Data: < UU C           > 80 55 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002431954FFD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000243195563C0, 16 bytes long.
 Data: <XUU C           > 58 55 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000243195559C0, 16 bytes long.
 Data: <0UU C           > 30 55 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024319556230, 16 bytes long.
 Data: < UU C           > 08 55 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024319555CE0, 16 bytes long.
 Data: <&#224;TU C           > E0 54 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024319554810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000024319555920, 16 bytes long.
 Data: <&#232;&#181;S C           > E8 B5 53 19 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002431954F8B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000243195561E0, 16 bytes long.
 Data: <&#192;&#181;S C           > C0 B5 53 19 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024319555C90, 16 bytes long.
 Data: < &#181;S C           > 98 B5 53 19 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024319556320, 16 bytes long.
 Data: <p&#181;S C           > 70 B5 53 19 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024319555FB0, 16 bytes long.
 Data: <H&#181;S C           > 48 B5 53 19 43 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024319555E70, 16 bytes long.
 Data: < &#181;S C           > 20 B5 53 19 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024319555C40, 16 bytes long.
 Data: <&#248;&#180;S C           > F8 B4 53 19 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002431954FB50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000024319556280, 16 bytes long.
 Data: <&#208;&#180;S C           > D0 B4 53 19 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002431953B4D0, 320 bytes long.
 Data: < bU C   P&#251;T C   > 80 62 55 19 43 02 00 00 50 FB 54 19 43 02 00 00 
{275} normal block at 0x0000024319555970, 16 bytes long.
 Data: <&#192;TU C           > C0 54 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000243195557E0, 16 bytes long.
 Data: < TU C           > 98 54 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024319550330, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000243195565A0, 16 bytes long.
 Data: <pTU C           > 70 54 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002431954FC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000024319556370, 16 bytes long.
 Data: <&#184;SU C           > B8 53 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024319556640, 16 bytes long.
 Data: < SU C           > 90 53 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000243195562D0, 16 bytes long.
 Data: <hSU C           > 68 53 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024319555EC0, 16 bytes long.
 Data: <@SU C           > 40 53 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024319556190, 16 bytes long.
 Data: < SU C           > 18 53 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002431954EA50, 16 bytes long.
 Data: <&#240;RU C           > F0 52 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002431954E8C0, 16 bytes long.
 Data: < HU C           > 80 48 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024319554880, 40 bytes long.
 Data: <&#192;&#232;T C   @o& C   > C0 E8 54 19 43 02 00 00 40 6F 26 1B 43 02 00 00 
{261} normal block at 0x000002431954F3B0, 16 bytes long.
 Data: <&#208;RU C           > D0 52 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002431954F5E0, 16 bytes long.
 Data: <&#168;RU C           > A8 52 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002431954FAF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002431954F360, 16 bytes long.
 Data: < RU C           > 80 52 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024319555280, 992 bytes long.
 Data: <`&#243;T C   &#240;&#250;T C   > 60 F3 54 19 43 02 00 00 F0 FA 54 19 43 02 00 00 
{93} normal block at 0x00000243195505D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002431954EF00, 16 bytes long.
 Data: <`IU C           > 60 49 55 19 43 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024319554960, 40 bytes long.
 Data: < &#239;T C   &#208; U C   > 00 EF 54 19 43 02 00 00 D0 05 55 19 43 02 00 00 
{70} normal block at 0x000002431954E910, 16 bytes long.
 Data: < &#234;&#227; &#246;           > 80 EA E3 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002431954E9B0, 16 bytes long.
 Data: <@&#233;&#227; &#246;           > 40 E9 E3 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002431954F540, 16 bytes long.
 Data: <&#248;W&#224; &#246;           > F8 57 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002431954F4F0, 16 bytes long.
 Data: <&#216;W&#224; &#246;           > D8 57 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002431954F2C0, 16 bytes long.
 Data: <P &#224; &#246;           > 50 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002431954F6D0, 16 bytes long.
 Data: <0 &#224; &#246;           > 30 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002431954EBE0, 16 bytes long.
 Data: <&#224; &#224; &#246;           > E0 02 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002431954F4A0, 16 bytes long.
 Data: <  &#224; &#246;           > 10 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002431954E820, 16 bytes long.
 Data: <p &#224; &#246;           > 70 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002431954EE60, 16 bytes long.
 Data: < &#192;&#222; &#246;           > 18 C0 DE 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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