Task 38685684

Name test_321-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3331_0
Workunit 31627145
Created 27 Oct 2026, 22:22:55 UTC
Sent 27 Oct 2026, 22:23:00 UTC
Report deadline 1 Nov 2026, 22:23:00 UTC
Received 27 Oct 2026, 23:30:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 4 min 17 sec
CPU time 1 hours 3 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.56 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:24:41 (608): wrapper (7.9.26016): starting
15:24:41 (608): 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
15:24:44 (608): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:24:44 (608): 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\26\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\26\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
16:27:58 (608): C:/Windows/system32/cmd.exe exited; CPU time 3826.437500
16:27:58 (608): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 54162352 bytes.
Dumping objects ->
{3835270} normal block at 0x000001F5DBEF7CF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001F5DBEF88C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001F5DBEF8B60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001F5DBEF8AF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001F5DBEF8A80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001F5DDC94430, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001F5DDCAB850, 85 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) : {3835181} normal block at 0x000001F5DBEC7C00, 8 bytes long.
 Data: <  &#230;&#219;&#245;   > 00 00 E6 DB F5 01 00 00 
{3834558} normal block at 0x000001F5DDCAC930, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001F5DBEC7570, 8 bytes long.
 Data: <p&#158;&#239;&#219;&#245;   > 70 9E EF DB F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001F5DBED2640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F5DBEBDB00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001F5DBED3720, 16 bytes long.
 Data: <([&#237;&#219;&#245;           > 28 5B ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F5DBED38B0, 16 bytes long.
 Data: < [&#237;&#219;&#245;           > 00 5B ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F5DBECDE80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001F5DBED3860, 16 bytes long.
 Data: <&#216;Z&#237;&#219;&#245;           > D8 5A ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F5DBED3EA0, 16 bytes long.
 Data: <&#176;Z&#237;&#219;&#245;           > B0 5A ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F5DBED3B80, 16 bytes long.
 Data: < Z&#237;&#219;&#245;           > 88 5A ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F5DBED4440, 16 bytes long.
 Data: <`Z&#237;&#219;&#245;           > 60 5A ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F5DBECBDA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001F5DBED3AE0, 16 bytes long.
 Data: < 5&#237;&#219;&#245;           > 18 35 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F5DBECE300, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001F5DBED3FE0, 16 bytes long.
 Data: <&#240;4&#237;&#219;&#245;           > F0 34 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F5DBED43A0, 16 bytes long.
 Data: <&#200;4&#237;&#219;&#245;           > C8 34 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F5DBED3A40, 16 bytes long.
 Data: <&#160;4&#237;&#219;&#245;           > A0 34 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F5DBED3F40, 16 bytes long.
 Data: <x4&#237;&#219;&#245;           > 78 34 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F5DBED4350, 16 bytes long.
 Data: <P4&#237;&#219;&#245;           > 50 34 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F5DBED4300, 16 bytes long.
 Data: <(4&#237;&#219;&#245;           > 28 34 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F5DBECDBE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001F5DBED42B0, 16 bytes long.
 Data: < 4&#237;&#219;&#245;           > 00 34 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F5DBED3400, 320 bytes long.
 Data: <&#176;B&#237;&#219;&#245;   &#224;&#219;&#236;&#219;&#245;   > B0 42 ED DB F5 01 00 00 E0 DB EC DB F5 01 00 00 
{271} normal block at 0x000001F5DBED4080, 16 bytes long.
 Data: <@Z&#237;&#219;&#245;           > 40 5A ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F5DBED3810, 16 bytes long.
 Data: < Z&#237;&#219;&#245;           > 18 5A ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F5DBECE120, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001F5DBED3A90, 16 bytes long.
 Data: <&#240;Y&#237;&#219;&#245;           > F0 59 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F5DBECE180, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001F5DBED39F0, 16 bytes long.
 Data: <8Y&#237;&#219;&#245;           > 38 59 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F5DBED4490, 16 bytes long.
 Data: < Y&#237;&#219;&#245;           > 10 59 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F5DBED3E00, 16 bytes long.
 Data: <&#232;X&#237;&#219;&#245;           > E8 58 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F5DBED41C0, 16 bytes long.
 Data: <&#192;X&#237;&#219;&#245;           > C0 58 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F5DBED3EF0, 16 bytes long.
 Data: < X&#237;&#219;&#245;           > 98 58 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F5DBED4530, 16 bytes long.
 Data: <pX&#237;&#219;&#245;           > 70 58 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F5DBED43F0, 16 bytes long.
 Data: < &#190;&#236;&#219;&#245;           > 80 BE EC DB F5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F5DBECBE80, 40 bytes long.
 Data: <&#240;C&#237;&#219;&#245;   0D&#201;&#221;&#245;   > F0 43 ED DB F5 01 00 00 30 44 C9 DD F5 01 00 00 
{257} normal block at 0x000001F5DBED37C0, 16 bytes long.
 Data: <PX&#237;&#219;&#245;           > 50 58 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F5DBED4210, 16 bytes long.
 Data: <(X&#237;&#219;&#245;           > 28 58 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F5DBECD880, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001F5DBED3770, 16 bytes long.
 Data: < X&#237;&#219;&#245;           > 00 58 ED DB F5 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F5DBED5800, 992 bytes long.
 Data: <p7&#237;&#219;&#245;    &#216;&#236;&#219;&#245;   > 70 37 ED DB F5 01 00 00 80 D8 EC DB F5 01 00 00 
{89} normal block at 0x000001F5DBECD640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001F5DBEC7980, 16 bytes long.
 Data: <@&#192;&#236;&#219;&#245;           > 40 C0 EC DB F5 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001F5DBECC040, 40 bytes long.
 Data: < y&#236;&#219;&#245;   @&#214;&#236;&#219;&#245;   > 80 79 EC DB F5 01 00 00 40 D6 EC DB F5 01 00 00 
{66} normal block at 0x000001F5DBEC70C0, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F5DBEC77F0, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F5DBEC7AC0, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F5DBEC7D90, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F5DBEC7480, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F5DBEC7610, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F5DBEC74D0, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F5DBEC7430, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F5DBEC7A20, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F5DBEC73E0, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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