Task 38662297

Name test_924-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND3021_1
Workunit 31605509
Created 24 Oct 2026, 18:35:45 UTC
Sent 24 Oct 2026, 18:38:27 UTC
Report deadline 29 Oct 2026, 18:38:27 UTC
Received 24 Oct 2026, 21:10:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 28 min 19 sec
CPU time 27 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.07 MB
Peak swap size 13.04 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
21:02:12 (13668): wrapper (7.9.26016): starting
21:02:12 (13668): 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
21:02:13 (13668): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:02:13 (13668): 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\27\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\27\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
21:30:41 (13668): C:/Windows/system32/cmd.exe exited; CPU time 1669.546875
21:30:41 (13668): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 28909303 bytes.
Dumping objects ->
{3835235} normal block at 0x00000162A4D7C890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x00000162A4D7D380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x00000162A4D7CEB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x00000162A4D7D000, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x00000162A3124A90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x00000162A4DC7680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x00000162A4DDE210, 102 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) : {3835146} normal block at 0x00000162A311F650, 8 bytes long.
 Data: <   &#163;b   > 00 00 0E A3 62 01 00 00 
{3834542} normal block at 0x00000162A4DDE2C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000162A311F4C0, 8 bytes long.
 Data: < 8&#226;&#164;b   > 80 38 E2 A4 62 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000162A31209A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000162A31165F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000162A3125B10, 16 bytes long.
 Data: <xf &#163;b           > 78 66 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000162A3126010, 16 bytes long.
 Data: <Pf &#163;b           > 50 66 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000162A311F850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000162A3125980, 16 bytes long.
 Data: <(f &#163;b           > 28 66 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000162A3125930, 16 bytes long.
 Data: < f &#163;b           > 00 66 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000162A31257A0, 16 bytes long.
 Data: <&#216;e &#163;b           > D8 65 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000162A31258E0, 16 bytes long.
 Data: <&#176;e &#163;b           > B0 65 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000162A3124E80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000162A3125750, 16 bytes long.
 Data: <h&#231; &#163;b           > 68 E7 11 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000162A31201B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000162A31256B0, 16 bytes long.
 Data: <@&#231; &#163;b           > 40 E7 11 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000162A3125610, 16 bytes long.
 Data: < &#231; &#163;b           > 18 E7 11 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000162A3125660, 16 bytes long.
 Data: <&#240;&#230; &#163;b           > F0 E6 11 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000162A3125D90, 16 bytes long.
 Data: <&#200;&#230; &#163;b           > C8 E6 11 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000162A3125D40, 16 bytes long.
 Data: <&#160;&#230; &#163;b           > A0 E6 11 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000162A3125C50, 16 bytes long.
 Data: <x&#230; &#163;b           > 78 E6 11 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000162A3120210, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000162A3125890, 16 bytes long.
 Data: <P&#230; &#163;b           > 50 E6 11 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000162A311E650, 320 bytes long.
 Data: < X &#163;b      &#163;b   > 90 58 12 A3 62 01 00 00 10 02 12 A3 62 01 00 00 
{276} normal block at 0x00000162A31255C0, 16 bytes long.
 Data: < e &#163;b           > 90 65 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000162A3125840, 16 bytes long.
 Data: <he &#163;b           > 68 65 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000162A31206F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000162A3125BB0, 16 bytes long.
 Data: <@e &#163;b           > 40 65 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000162A311FA30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000162A3125700, 16 bytes long.
 Data: < d &#163;b           > 88 64 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000162A3125CF0, 16 bytes long.
 Data: <`d &#163;b           > 60 64 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000162A3125AC0, 16 bytes long.
 Data: <8d &#163;b           > 38 64 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000162A3125C00, 16 bytes long.
 Data: < d &#163;b           > 10 64 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000162A3125F70, 16 bytes long.
 Data: <&#232;c &#163;b           > E8 63 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000162A3125570, 16 bytes long.
 Data: <&#192;c &#163;b           > C0 63 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000162A3125FC0, 16 bytes long.
 Data: < N &#163;b           > 10 4E 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000162A3124E10, 40 bytes long.
 Data: <&#192;_ &#163;b    v&#220;&#164;b   > C0 5F 12 A3 62 01 00 00 80 76 DC A4 62 01 00 00 
{262} normal block at 0x00000162A3125390, 16 bytes long.
 Data: <&#160;c &#163;b           > A0 63 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000162A31261A0, 16 bytes long.
 Data: <xc &#163;b           > 78 63 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000162A3120750, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000162A3125A20, 16 bytes long.
 Data: <Pc &#163;b           > 50 63 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000162A3126350, 992 bytes long.
 Data: < Z &#163;b   P  &#163;b   > 20 5A 12 A3 62 01 00 00 50 07 12 A3 62 01 00 00 
{94} normal block at 0x00000162A3120630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000162A311EFC0, 16 bytes long.
 Data: <&#224;K &#163;b           > E0 4B 12 A3 62 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000162A3124BE0, 40 bytes long.
 Data: <&#192;&#239; &#163;b   0  &#163;b   > C0 EF 11 A3 62 01 00 00 30 06 12 A3 62 01 00 00 
{71} normal block at 0x00000162A311F0B0, 16 bytes long.
 Data: < &#234;&#194;&#154;&#247;           > 80 EA C2 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000162A311EA70, 16 bytes long.
 Data: <@&#233;&#194;&#154;&#247;           > 40 E9 C2 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000162A311EB10, 16 bytes long.
 Data: <&#248;W&#191;&#154;&#247;           > F8 57 BF 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000162A311EE80, 16 bytes long.
 Data: <&#216;W&#191;&#154;&#247;           > D8 57 BF 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000162A311F5B0, 16 bytes long.
 Data: <P &#191;&#154;&#247;           > 50 04 BF 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000162A311EF20, 16 bytes long.
 Data: <0 &#191;&#154;&#247;           > 30 04 BF 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000162A311EED0, 16 bytes long.
 Data: <&#224; &#191;&#154;&#247;           > E0 02 BF 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000162A311ED40, 16 bytes long.
 Data: <  &#191;&#154;&#247;           > 10 04 BF 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000162A311EE30, 16 bytes long.
 Data: <p &#191;&#154;&#247;           > 70 04 BF 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000162A311EA20, 16 bytes long.
 Data: < &#192;&#189;&#154;&#247;           > 18 C0 BD 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra