Task 38667091

Name test_864-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1542_0
Workunit 31609774
Created 25 Oct 2026, 6:17:59 UTC
Sent 25 Oct 2026, 6:19:19 UTC
Report deadline 30 Oct 2026, 6:19:19 UTC
Received 25 Oct 2026, 8:00:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641615
Run time 1 hours 33 min 11 sec
CPU time 1 hours 15 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,805.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.56 MB
Peak swap size 12.92 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:37:50 (10172): wrapper (7.9.26016): starting
15:37:50 (10172): 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
15:37:56 (10172): Library/usr/bin/tar.exe exited; CPU time 0.046875
15:37:56 (10172): 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
17:00:12 (10172): C:/Windows/system32/cmd.exe exited; CPU time 4506.203125
17:00:12 (10172): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 105915251 bytes.
Dumping objects ->
{3835342} normal block at 0x00000182BEAF9130, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835331} normal block at 0x00000182BEAF9E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835320} normal block at 0x00000182BEAF90C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835309} normal block at 0x00000182BEAF9600, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x00000182BEAF9590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835267} normal block at 0x00000182C0AD8A10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x00000182BEB2D760, 140 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) : {3835253} normal block at 0x00000182BEAD0EF0, 8 bytes long.
 Data: <  &#164;&#190;    > 00 00 A4 BE 82 01 00 00 
{3834655} normal block at 0x00000182BEB2D1B0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834073} normal block at 0x00000182BEAD0EA0, 8 bytes long.
 Data: <0 &#171;&#190;    > 30 E0 AB BE 82 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000182BEAC6670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000182BEAC7BE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000182BEAD5E90, 16 bytes long.
 Data: < n&#173;&#190;            > F8 6E AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000182BEAD6430, 16 bytes long.
 Data: <&#208;n&#173;&#190;            > D0 6E AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000182BEACF560, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000182BEAD6250, 16 bytes long.
 Data: <&#168;n&#173;&#190;            > A8 6E AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000182BEAD6390, 16 bytes long.
 Data: < n&#173;&#190;            > 80 6E AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000182BEAD63E0, 16 bytes long.
 Data: <Xn&#173;&#190;            > 58 6E AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000182BEAD6AC0, 16 bytes long.
 Data: <0n&#173;&#190;            > 30 6E AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000182BEAD43C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000182BEAD67A0, 16 bytes long.
 Data: <( &#171;&#190;            > 28 FB AB BE 82 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000182BEACE9C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000182BEAD6A20, 16 bytes long.
 Data: <  &#171;&#190;            > 00 FB AB BE 82 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000182BEAD6660, 16 bytes long.
 Data: <&#216; &#171;&#190;            > D8 FA AB BE 82 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000182BEAD6980, 16 bytes long.
 Data: <&#176; &#171;&#190;            > B0 FA AB BE 82 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000182BEAD6200, 16 bytes long.
 Data: <  &#171;&#190;            > 88 FA AB BE 82 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000182BEAD6340, 16 bytes long.
 Data: <` &#171;&#190;            > 60 FA AB BE 82 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000182BEAD5E40, 16 bytes long.
 Data: <8 &#171;&#190;            > 38 FA AB BE 82 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000182BEACF440, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000182BEAD5D00, 16 bytes long.
 Data: <  &#171;&#190;            > 10 FA AB BE 82 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000182BEABFA10, 320 bytes long.
 Data: < ]&#173;&#190;    @ &#172;&#190;    > 00 5D AD BE 82 01 00 00 40 F4 AC BE 82 01 00 00 
{280} normal block at 0x00000182BEAD5F80, 16 bytes long.
 Data: < n&#173;&#190;            > 10 6E AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000182BEAD62F0, 16 bytes long.
 Data: < m&#173;&#190;            > E8 6D AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000182BEACEEA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000182BEAD60C0, 16 bytes long.
 Data: <&#192;m&#173;&#190;            > C0 6D AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000182BEACED80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000182BEAD6A70, 16 bytes long.
 Data: < m&#173;&#190;            > 08 6D AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000182BEAD5FD0, 16 bytes long.
 Data: < l&#173;&#190;            > E0 6C AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000182BEAD6930, 16 bytes long.
 Data: <&#184;l&#173;&#190;            > B8 6C AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000182BEAD64D0, 16 bytes long.
 Data: < l&#173;&#190;            > 90 6C AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000182BEAD5DF0, 16 bytes long.
 Data: <hl&#173;&#190;            > 68 6C AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000182BEAD6480, 16 bytes long.
 Data: <@l&#173;&#190;            > 40 6C AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000182BEAD68E0, 16 bytes long.
 Data: <@G&#173;&#190;            > 40 47 AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000182BEAD4740, 40 bytes long.
 Data: < h&#173;&#190;      &#173;&#192;    > E0 68 AD BE 82 01 00 00 10 8A AD C0 82 01 00 00 
{266} normal block at 0x00000182BEAD6070, 16 bytes long.
 Data: < l&#173;&#190;            > 20 6C AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000182BEAD5CB0, 16 bytes long.
 Data: < k&#173;&#190;            > F8 6B AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000182BEACF3E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000182BEAD6840, 16 bytes long.
 Data: <&#208;k&#173;&#190;            > D0 6B AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000182BEAD6BD0, 992 bytes long.
 Data: <@h&#173;&#190;      &#172;&#190;    > 40 68 AD BE 82 01 00 00 E0 F3 AC BE 82 01 00 00 
{98} normal block at 0x00000182BEACE780, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000182BEAD0E00, 16 bytes long.
 Data: <&#176;G&#173;&#190;            > B0 47 AD BE 82 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000182BEAD47B0, 40 bytes long.
 Data: <  &#173;&#190;      &#172;&#190;    > 00 0E AD BE 82 01 00 00 80 E7 AC BE 82 01 00 00 
{73} normal block at 0x00000182BEAD0590, 16 bytes long.
 Data: <  w&#193;            > 80 EA 77 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000182BEAD0CC0, 16 bytes long.
 Data: <@ w&#193;            > 40 E9 77 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000182BEAD0B30, 16 bytes long.
 Data: < Wt&#193;            > F8 57 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000182BEAD0450, 16 bytes long.
 Data: <&#216;Wt&#193;            > D8 57 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000182BEAD0C20, 16 bytes long.
 Data: <P t&#193;            > 50 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000182BEAD0BD0, 16 bytes long.
 Data: <0 t&#193;            > 30 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000182BEAD0F90, 16 bytes long.
 Data: <  t&#193;            > E0 02 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000182BEAD0A90, 16 bytes long.
 Data: <  t&#193;            > 10 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000182BEAD1080, 16 bytes long.
 Data: <p t&#193;            > 70 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000182BEAD09A0, 16 bytes long.
 Data: < &#192;r&#193;            > 18 C0 72 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra