Task 38689670

Name test_866-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7219_0
Workunit 31630904
Created 28 Oct 2026, 22:43:28 UTC
Sent 28 Oct 2026, 22:43:30 UTC
Report deadline 2 Nov 2026, 22:43:30 UTC
Received 28 Oct 2026, 23:03:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 19 min 36 sec
CPU time 18 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.85 MB
Peak swap size 6.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:44:16 (25984): wrapper (7.9.26016): starting
18:44:16 (25984): 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
18:44:17 (25984): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:44:17 (25984): 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
19:03:33 (25984): C:/Windows/system32/cmd.exe exited; CPU time 1122.406250
19:03:33 (25984): 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: 22703179 bytes.
Dumping objects ->
{3835255} normal block at 0x000001C476367780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001C4763671D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001C476367A20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001C4763677F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001C4763679B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001C4781918C0, 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) : {3835167} normal block at 0x000001C476340BA0, 8 bytes long.
 Data: <  ,v&#196;   > 00 00 2C 76 C4 01 00 00 
{3833967} normal block at 0x000001C4763401A0, 8 bytes long.
 Data: < % x&#196;   > 20 25 19 78 C4 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C476310E10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C4762F13F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001C4763445E0, 16 bytes long.
 Data: <&#200;&#250;3v&#196;           > C8 FA 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C476344360, 16 bytes long.
 Data: <&#160;&#250;3v&#196;           > A0 FA 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C476337A80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001C476344D10, 16 bytes long.
 Data: <x&#250;3v&#196;           > 78 FA 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C476344220, 16 bytes long.
 Data: <P&#250;3v&#196;           > 50 FA 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C4763449F0, 16 bytes long.
 Data: <(&#250;3v&#196;           > 28 FA 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C476344680, 16 bytes long.
 Data: < &#250;3v&#196;           > 00 FA 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C47633E080, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001C476344630, 16 bytes long.
 Data: <&#216;&#244;3v&#196;           > D8 F4 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C476337960, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001C4763446D0, 16 bytes long.
 Data: <&#176;&#244;3v&#196;           > B0 F4 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C476344DB0, 16 bytes long.
 Data: < &#244;3v&#196;           > 88 F4 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C476344180, 16 bytes long.
 Data: <`&#244;3v&#196;           > 60 F4 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C4763440E0, 16 bytes long.
 Data: <8&#244;3v&#196;           > 38 F4 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C476344720, 16 bytes long.
 Data: < &#244;3v&#196;           > 10 F4 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C476344770, 16 bytes long.
 Data: <&#232;&#243;3v&#196;           > E8 F3 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C476338080, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001C4763449A0, 16 bytes long.
 Data: <&#192;&#243;3v&#196;           > C0 F3 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C47633F3C0, 320 bytes long.
 Data: <&#160;I4v&#196;     3v&#196;   > A0 49 34 76 C4 01 00 00 80 80 33 76 C4 01 00 00 
{279} normal block at 0x000001C4763448B0, 16 bytes long.
 Data: <&#224;&#249;3v&#196;           > E0 F9 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C476344C20, 16 bytes long.
 Data: <&#184;&#249;3v&#196;           > B8 F9 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C476337900, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001C476344E50, 16 bytes long.
 Data: < &#249;3v&#196;           > 90 F9 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C476338020, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001C476344090, 16 bytes long.
 Data: <&#216;&#248;3v&#196;           > D8 F8 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C476344860, 16 bytes long.
 Data: <&#176;&#248;3v&#196;           > B0 F8 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C476344040, 16 bytes long.
 Data: < &#248;3v&#196;           > 88 F8 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C476343FF0, 16 bytes long.
 Data: <`&#248;3v&#196;           > 60 F8 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C476344130, 16 bytes long.
 Data: <8&#248;3v&#196;           > 38 F8 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C4763443B0, 16 bytes long.
 Data: < &#248;3v&#196;           > 10 F8 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C4763441D0, 16 bytes long.
 Data: <&#192;&#222;3v&#196;           > C0 DE 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C47633DEC0, 40 bytes long.
 Data: <&#208;A4v&#196;   &#192;  x&#196;   > D0 41 34 76 C4 01 00 00 C0 18 19 78 C4 01 00 00 
{265} normal block at 0x000001C476344CC0, 16 bytes long.
 Data: <&#240;&#247;3v&#196;           > F0 F7 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C476344D60, 16 bytes long.
 Data: <&#200;&#247;3v&#196;           > C8 F7 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C476337A20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001C476344400, 16 bytes long.
 Data: <&#160;&#247;3v&#196;           > A0 F7 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C47633F7A0, 992 bytes long.
 Data: < D4v&#196;    z3v&#196;   > 00 44 34 76 C4 01 00 00 20 7A 33 76 C4 01 00 00 
{97} normal block at 0x000001C476337B40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001C476340880, 16 bytes long.
 Data: < &#221;3v&#196;           > 00 DD 33 76 C4 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001C47633DD00, 40 bytes long.
 Data: <  4v&#196;   @{3v&#196;   > 80 08 34 76 C4 01 00 00 40 7B 33 76 C4 01 00 00 
{74} normal block at 0x000001C4763403D0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C476340100, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C476340B00, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C4763402E0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C476340150, 16 bytes long.
 Data: <P   &#247;           > 50 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C476340D80, 16 bytes long.
 Data: <0   &#247;           > 30 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C4763404C0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C476340290, 16 bytes long.
 Data: <    &#247;           > 10 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C476340470, 16 bytes long.
 Data: <p   &#247;           > 70 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C476340790, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 12 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra