Task 38689212

Name test_392-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2706_0
Workunit 31630482
Created 28 Oct 2026, 19:14:34 UTC
Sent 28 Oct 2026, 19:14:44 UTC
Report deadline 2 Nov 2026, 19:14:44 UTC
Received 28 Oct 2026, 19:34:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 19 min 10 sec
CPU time 17 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.73 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:15:48 (57176): wrapper (7.9.26016): starting
14:15:48 (57176): 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
14:15:49 (57176): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:15:49 (57176): 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
14:34:01 (57176): C:/Windows/system32/cmd.exe exited; CPU time 1074.578125
14:34:01 (57176): 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: 22165835 bytes.
Dumping objects ->
{3835250} normal block at 0x000001F0C72BCF10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001F0C5564C00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001F0C5564B20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001F0C5564810, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001F0C55647A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001F0C73042D0, 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) : {3835162} normal block at 0x000001F0C555E7E0, 8 bytes long.
 Data: <  &#185;&#197;&#240;   > 00 00 B9 C5 F0 01 00 00 
{3833961} normal block at 0x000001F0C555EA10, 8 bytes long.
 Data: <`>V&#197;&#240;   > 60 3E 56 C5 F0 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F0C5560E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F0C554F5A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001F0C5565F10, 16 bytes long.
 Data: <&#216;dV&#197;&#240;           > D8 64 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F0C5565790, 16 bytes long.
 Data: <&#176;dV&#197;&#240;           > B0 64 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F0C5560010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001F0C5566000, 16 bytes long.
 Data: < dV&#197;&#240;           > 88 64 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F0C5565B50, 16 bytes long.
 Data: <`dV&#197;&#240;           > 60 64 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F0C5565330, 16 bytes long.
 Data: <8dV&#197;&#240;           > 38 64 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F0C5565A60, 16 bytes long.
 Data: < dV&#197;&#240;           > 10 64 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F0C5564880, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001F0C5565F60, 16 bytes long.
 Data: <H&#181;T&#197;&#240;           > 48 B5 54 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F0C5560430, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001F0C55651F0, 16 bytes long.
 Data: < &#181;T&#197;&#240;           > 20 B5 54 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F0C5565380, 16 bytes long.
 Data: <&#248;&#180;T&#197;&#240;           > F8 B4 54 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F0C5565BA0, 16 bytes long.
 Data: <&#208;&#180;T&#197;&#240;           > D0 B4 54 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F0C5566050, 16 bytes long.
 Data: <&#168;&#180;T&#197;&#240;           > A8 B4 54 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F0C5565C90, 16 bytes long.
 Data: < &#180;T&#197;&#240;           > 80 B4 54 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F0C5565FB0, 16 bytes long.
 Data: <X&#180;T&#197;&#240;           > 58 B4 54 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F0C555FFB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001F0C55655B0, 16 bytes long.
 Data: <0&#180;T&#197;&#240;           > 30 B4 54 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F0C554B430, 320 bytes long.
 Data: <&#176;UV&#197;&#240;   &#176;&#255;U&#197;&#240;   > B0 55 56 C5 F0 01 00 00 B0 FF 55 C5 F0 01 00 00 
{276} normal block at 0x000001F0C55658D0, 16 bytes long.
 Data: <&#240;cV&#197;&#240;           > F0 63 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F0C5565920, 16 bytes long.
 Data: <&#200;cV&#197;&#240;           > C8 63 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F0C555F950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001F0C55654C0, 16 bytes long.
 Data: <&#160;cV&#197;&#240;           > A0 63 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F0C555FF50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001F0C55652E0, 16 bytes long.
 Data: <&#232;bV&#197;&#240;           > E8 62 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F0C5566140, 16 bytes long.
 Data: <&#192;bV&#197;&#240;           > C0 62 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F0C55656F0, 16 bytes long.
 Data: < bV&#197;&#240;           > 98 62 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F0C5565290, 16 bytes long.
 Data: <pbV&#197;&#240;           > 70 62 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F0C5565740, 16 bytes long.
 Data: <HbV&#197;&#240;           > 48 62 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F0C55659C0, 16 bytes long.
 Data: < bV&#197;&#240;           > 20 62 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F0C5565240, 16 bytes long.
 Data: <0GV&#197;&#240;           > 30 47 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F0C5564730, 40 bytes long.
 Data: <@RV&#197;&#240;   &#208;B0&#199;&#240;   > 40 52 56 C5 F0 01 00 00 D0 42 30 C7 F0 01 00 00 
{262} normal block at 0x000001F0C5565B00, 16 bytes long.
 Data: < bV&#197;&#240;           > 00 62 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F0C5565AB0, 16 bytes long.
 Data: <&#216;aV&#197;&#240;           > D8 61 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F0C555FD10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001F0C55660F0, 16 bytes long.
 Data: <&#176;aV&#197;&#240;           > B0 61 56 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F0C55661B0, 992 bytes long.
 Data: <&#240;`V&#197;&#240;    &#253;U&#197;&#240;   > F0 60 56 C5 F0 01 00 00 10 FD 55 C5 F0 01 00 00 
{94} normal block at 0x000001F0C55601F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001F0C555ECE0, 16 bytes long.
 Data: < &#229;T&#197;&#240;           > 10 E5 54 C5 F0 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F0C554E510, 40 bytes long.
 Data: <&#224;&#236;U&#197;&#240;   &#240; V&#197;&#240;   > E0 EC 55 C5 F0 01 00 00 F0 01 56 C5 F0 01 00 00 
{71} normal block at 0x000001F0C555F2D0, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F0C555E740, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F0C555EF60, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F0C555F0F0, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F0C555F0A0, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F0C555EF10, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F0C555E6F0, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F0C555F5F0, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F0C555E880, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F0C555EAB0, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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