Task 38677705

Name test_892-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND4337_1
Workunit 31619229
Created 26 Oct 2026, 15:09:58 UTC
Sent 26 Oct 2026, 15:10:02 UTC
Report deadline 31 Oct 2026, 15:10:02 UTC
Received 26 Oct 2026, 15:38:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 21 min 6 sec
CPU time 19 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.44 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:18:18 (9160): wrapper (7.9.26016): starting
17:18:18 (9160): 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
17:18:19 (9160): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:18:19 (9160): 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
17:38:36 (9160): C:/Windows/system32/cmd.exe exited; CPU time 1181.812500
17:38:36 (9160): 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: 25832575 bytes.
Dumping objects ->
{3835275} normal block at 0x000001213243FE20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x00000121307C3C40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x00000121307C4260, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x00000121307C41F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000121307C3F50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x0000012132344430, 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) : {3835187} normal block at 0x00000121307BE720, 8 bytes long.
 Data: <  u0!   > 00 00 75 30 21 01 00 00 
{3833939} normal block at 0x00000121307BE090, 8 bytes long.
 Data: < &#239;C2!   > 10 EF 43 32 21 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x00000121307BEBF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000121307B54F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x00000121307C4C60, 16 bytes long.
 Data: <(J|0!           > 28 4A 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000121307C5A20, 16 bytes long.
 Data: < J|0!           > 00 4A 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000121307C2DB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x00000121307C59D0, 16 bytes long.
 Data: <&#216;I|0!           > D8 49 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000121307C4DF0, 16 bytes long.
 Data: <&#176;I|0!           > B0 49 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000121307C4BC0, 16 bytes long.
 Data: < I|0!           > 88 49 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000121307C5660, 16 bytes long.
 Data: <`I|0!           > 60 49 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000121307C4030, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x00000121307C5A70, 16 bytes long.
 Data: <8D|0!           > 38 44 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000121307C2750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x00000121307C5570, 16 bytes long.
 Data: < D|0!           > 10 44 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000121307C4C10, 16 bytes long.
 Data: <&#232;C|0!           > E8 43 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000121307C5610, 16 bytes long.
 Data: <&#192;C|0!           > C0 43 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000121307C5520, 16 bytes long.
 Data: < C|0!           > 98 43 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000121307C4EE0, 16 bytes long.
 Data: <pC|0!           > 70 43 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000121307C4E40, 16 bytes long.
 Data: <HC|0!           > 48 43 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000121307C2870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x00000121307C5480, 16 bytes long.
 Data: < C|0!           > 20 43 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000121307C4320, 320 bytes long.
 Data: < T|0!   p(|0!   > 80 54 7C 30 21 01 00 00 70 28 7C 30 21 01 00 00 
{265} normal block at 0x00000121307C4E90, 16 bytes long.
 Data: <@I|0!           > 40 49 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000121307C5980, 16 bytes long.
 Data: < I|0!           > 18 49 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000121307C2F30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x00000121307C4B70, 16 bytes long.
 Data: <&#240;H|0!           > F0 48 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000121307C3650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x00000121307C55C0, 16 bytes long.
 Data: <8H|0!           > 38 48 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000121307C5250, 16 bytes long.
 Data: < H|0!           > 10 48 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000121307C5AC0, 16 bytes long.
 Data: <&#232;G|0!           > E8 47 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000121307C4D50, 16 bytes long.
 Data: <&#192;G|0!           > C0 47 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000121307C54D0, 16 bytes long.
 Data: < G|0!           > 98 47 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000121307BE6D0, 16 bytes long.
 Data: <pG|0!           > 70 47 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000121307BE630, 16 bytes long.
 Data: < >|0!           > 00 3E 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000121307C3E00, 40 bytes long.
 Data: <0&#230;{0!   0D42!   > 30 E6 7B 30 21 01 00 00 30 44 34 32 21 01 00 00 
{251} normal block at 0x00000121307BE590, 16 bytes long.
 Data: <PG|0!           > 50 47 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000121307BDA50, 16 bytes long.
 Data: <(G|0!           > 28 47 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000121307C2ED0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x00000121307BE4A0, 16 bytes long.
 Data: < G|0!           > 00 47 7C 30 21 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x00000121307C4700, 992 bytes long.
 Data: <&#160;&#228;{0!   &#208;.|0!   > A0 E4 7B 30 21 01 00 00 D0 2E 7C 30 21 01 00 00 
{83} normal block at 0x00000121307AF3A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x00000121307BDC80, 16 bytes long.
 Data: <`&#177;z0!           > 60 B1 7A 30 21 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000121307AB160, 40 bytes long.
 Data: < &#220;{0!   &#160;&#243;z0!   > 80 DC 7B 30 21 01 00 00 A0 F3 7A 30 21 01 00 00 
{60} normal block at 0x00000121307BE770, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000121307BD8C0, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000121307BD9B0, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000121307BE040, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000121307BE0E0, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000121307BDC30, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000121307BD960, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000121307BDBE0, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000121307BE220, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x00000121307BD910, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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