Task 38675213

Name test_501-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND2082_1
Workunit 31610194
Created 26 Oct 2026, 7:37:24 UTC
Sent 26 Oct 2026, 7:37:45 UTC
Report deadline 31 Oct 2026, 7:37:45 UTC
Received 26 Oct 2026, 9:12:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645746
Run time 42 min 27 sec
CPU time 36 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 685.00 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:30:23 (20304): wrapper (7.9.26016): starting
04:30:23 (20304): 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
04:30:24 (20304): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:30:24 (20304): 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
05:11:31 (20304): C:/Windows/system32/cmd.exe exited; CPU time 2214.875000
05:11:31 (20304): 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: 41384753 bytes.
Dumping objects ->
{3835188} normal block at 0x00000000004648D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000000000464E10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x0000000000464DA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835155} normal block at 0x0000000000464D30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x0000000000464CC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835113} normal block at 0x00000000024DB610, 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) : {3835100} normal block at 0x000000000045F930, 8 bytes long.
 Data: <  &#132;     > 00 00 84 00 00 00 00 00 
{3833951} normal block at 0x0000000000460470, 8 bytes long.
 Data: < &#154;H     > 90 9A 48 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000000000460850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000000000456540, 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 0x00000000004659D0, 16 bytes long.
 Data: <HWF             > 48 57 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000000004666A0, 16 bytes long.
 Data: < WF             > 20 57 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000000000045EBD0, 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 0x00000000004665B0, 16 bytes long.
 Data: <&#248;VF             > F8 56 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000000000466740, 16 bytes long.
 Data: <&#208;VF             > D0 56 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000000000466510, 16 bytes long.
 Data: <&#168;VF             > A8 56 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000000004667E0, 16 bytes long.
 Data: < VF             > 80 56 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000000000464E80, 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 0x0000000000466650, 16 bytes long.
 Data: < &#233;D             > 88 E9 44 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000000000045ED50, 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 0x00000000004666F0, 16 bytes long.
 Data: <`&#233;D             > 60 E9 44 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000000004662E0, 16 bytes long.
 Data: <8&#233;D             > 38 E9 44 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000000000465D40, 16 bytes long.
 Data: < &#233;D             > 10 E9 44 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000000000465F70, 16 bytes long.
 Data: <&#232;&#232;D             > E8 E8 44 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000000000465A20, 16 bytes long.
 Data: <&#192;&#232;D             > C0 E8 44 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000000000466790, 16 bytes long.
 Data: < &#232;D             > 98 E8 44 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000000000045F230, 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 0x0000000000466010, 16 bytes long.
 Data: <p&#232;D             > 70 E8 44 00 00 00 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000000000044E870, 320 bytes long.
 Data: < `F     0&#242;E     > 10 60 46 00 00 00 00 00 30 F2 45 00 00 00 00 00 
{271} normal block at 0x0000000000465D90, 16 bytes long.
 Data: <`VF             > 60 56 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000000000465CA0, 16 bytes long.
 Data: <8VF             > 38 56 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000000000045E930, 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 0x00000000004663D0, 16 bytes long.
 Data: < VF             > 10 56 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000000000045F0B0, 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 0x0000000000465C50, 16 bytes long.
 Data: <XUF             > 58 55 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000000000466150, 16 bytes long.
 Data: <0UF             > 30 55 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000000004658E0, 16 bytes long.
 Data: < UF             > 08 55 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000000000466560, 16 bytes long.
 Data: <&#224;TF             > E0 54 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000000004603D0, 16 bytes long.
 Data: <&#184;TF             > B8 54 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000000000460380, 16 bytes long.
 Data: < TF             > 90 54 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000000000460290, 16 bytes long.
 Data: <&#176;IF             > B0 49 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000000004649B0, 40 bytes long.
 Data: <  F      &#182;M     > 90 02 46 00 00 00 00 00 10 B6 4D 02 00 00 00 00 
{257} normal block at 0x000000000045FE80, 16 bytes long.
 Data: <pTF             > 70 54 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000000000045FE30, 16 bytes long.
 Data: <HTF             > 48 54 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000000000045EC30, 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 0x000000000045FDE0, 16 bytes long.
 Data: < TF             > 20 54 46 00 00 00 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000000000465420, 992 bytes long.
 Data: <&#224;&#253;E     0&#236;E     > E0 FD 45 00 00 00 00 00 30 EC 45 00 00 00 00 00 
{89} normal block at 0x000000000045EC90, 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 0x000000000045F750, 16 bytes long.
 Data: < &#199;D             > 10 C7 44 00 00 00 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000000000044C710, 40 bytes long.
 Data: <P&#247;E      &#236;E     > 50 F7 45 00 00 00 00 00 90 EC 45 00 00 00 00 00 
{66} normal block at 0x000000000045F700, 16 bytes long.
 Data: < &#234;Wf&#247;           > 80 EA 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000000000460420, 16 bytes long.
 Data: <@&#233;Wf&#247;           > 40 E9 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000000000045FB60, 16 bytes long.
 Data: <&#248;WTf&#247;           > F8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000000000045FF20, 16 bytes long.
 Data: <&#216;WTf&#247;           > D8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000000004605B0, 16 bytes long.
 Data: <P Tf&#247;           > 50 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000000004602E0, 16 bytes long.
 Data: <0 Tf&#247;           > 30 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000000000045F9D0, 16 bytes long.
 Data: <&#224; Tf&#247;           > E0 02 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000000000460330, 16 bytes long.
 Data: <  Tf&#247;           > 10 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000000000460650, 16 bytes long.
 Data: <p Tf&#247;           > 70 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000000000460560, 16 bytes long.
 Data: < &#192;Rf&#247;           > 18 C0 52 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra