Task 38679635

Name test_224-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8802_0
Workunit 31621402
Created 26 Oct 2026, 21:13:39 UTC
Sent 26 Oct 2026, 21:13:43 UTC
Report deadline 31 Oct 2026, 21:13:43 UTC
Received 26 Oct 2026, 22:04:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 44 sec
CPU time 46 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.67 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:16:08 (24048): wrapper (7.9.26016): starting
22:16:08 (24048): 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
22:16:09 (24048): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:16:09 (24048): 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\22\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\22\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
23:03:39 (24048): C:/Windows/system32/cmd.exe exited; CPU time 2804.453125
23:03:39 (24048): 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: 48716727 bytes.
Dumping objects ->
{3835363} normal block at 0x000001A6B3FBCF20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x000001A6B3FBD070, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x000001A6B2364B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x000001A6B2364B00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x000001A6B2364FD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x000001A6B4007170, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000001A6B401F160, 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) : {3835274} normal block at 0x000001A6B235F880, 8 bytes long.
 Data: <  &#239;&#179;&#166;   > 00 00 EF B3 A6 01 00 00 
{3834606} normal block at 0x000001A6B401F210, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001A6B235F7E0, 8 bytes long.
 Data: < &#159; &#180;&#166;   > 10 9F 01 B4 A6 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001A6B2361850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A6B23563B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001A6B2366330, 16 bytes long.
 Data: <&#168;h6&#178;&#166;           > A8 68 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A6B2366240, 16 bytes long.
 Data: < h6&#178;&#166;           > 80 68 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A6B235FDE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001A6B2365660, 16 bytes long.
 Data: <Xh6&#178;&#166;           > 58 68 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A6B2365E30, 16 bytes long.
 Data: <0h6&#178;&#166;           > 30 68 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A6B2365CA0, 16 bytes long.
 Data: < h6&#178;&#166;           > 08 68 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A6B2365A20, 16 bytes long.
 Data: <&#224;g6&#178;&#166;           > E0 67 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A6B2364E10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001A6B23657F0, 16 bytes long.
 Data: <&#232;&#231;5&#178;&#166;           > E8 E7 35 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A6B2360860, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001A6B2366150, 16 bytes long.
 Data: <&#192;&#231;5&#178;&#166;           > C0 E7 35 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A6B2365610, 16 bytes long.
 Data: < &#231;5&#178;&#166;           > 98 E7 35 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A6B2365E80, 16 bytes long.
 Data: <p&#231;5&#178;&#166;           > 70 E7 35 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A6B2365700, 16 bytes long.
 Data: <H&#231;5&#178;&#166;           > 48 E7 35 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A6B2365C50, 16 bytes long.
 Data: < &#231;5&#178;&#166;           > 20 E7 35 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A6B2365DE0, 16 bytes long.
 Data: <&#248;&#230;5&#178;&#166;           > F8 E6 35 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A6B2360560, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001A6B23662E0, 16 bytes long.
 Data: <&#208;&#230;5&#178;&#166;           > D0 E6 35 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A6B235E6D0, 320 bytes long.
 Data: <&#224;b6&#178;&#166;   ` 6&#178;&#166;   > E0 62 36 B2 A6 01 00 00 60 05 36 B2 A6 01 00 00 
{278} normal block at 0x000001A6B23661F0, 16 bytes long.
 Data: <&#192;g6&#178;&#166;           > C0 67 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A6B23661A0, 16 bytes long.
 Data: < g6&#178;&#166;           > 98 67 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A6B235FE40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001A6B2366100, 16 bytes long.
 Data: <pg6&#178;&#166;           > 70 67 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A6B235FF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001A6B2365D90, 16 bytes long.
 Data: <&#184;f6&#178;&#166;           > B8 66 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A6B2365980, 16 bytes long.
 Data: < f6&#178;&#166;           > 90 66 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A6B2365B60, 16 bytes long.
 Data: <hf6&#178;&#166;           > 68 66 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A6B2366510, 16 bytes long.
 Data: <@f6&#178;&#166;           > 40 66 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A6B23655C0, 16 bytes long.
 Data: < f6&#178;&#166;           > 18 66 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A6B23664C0, 16 bytes long.
 Data: <&#240;e6&#178;&#166;           > F0 65 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A6B2366010, 16 bytes long.
 Data: <&#224;K6&#178;&#166;           > E0 4B 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A6B2364BE0, 40 bytes long.
 Data: < `6&#178;&#166;   pq &#180;&#166;   > 10 60 36 B2 A6 01 00 00 70 71 00 B4 A6 01 00 00 
{264} normal block at 0x000001A6B2365FC0, 16 bytes long.
 Data: <&#208;e6&#178;&#166;           > D0 65 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A6B2365B10, 16 bytes long.
 Data: <&#168;e6&#178;&#166;           > A8 65 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A6B2360680, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001A6B2365AC0, 16 bytes long.
 Data: < e6&#178;&#166;           > 80 65 36 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A6B2366580, 992 bytes long.
 Data: <&#192;Z6&#178;&#166;     6&#178;&#166;   > C0 5A 36 B2 A6 01 00 00 80 06 36 B2 A6 01 00 00 
{96} normal block at 0x000001A6B235FF60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001A6B235F5B0, 16 bytes long.
 Data: < &#225;4&#178;&#166;           > 90 E1 34 B2 A6 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001A6B234E190, 40 bytes long.
 Data: <&#176;&#245;5&#178;&#166;   `&#255;5&#178;&#166;   > B0 F5 35 B2 A6 01 00 00 60 FF 35 B2 A6 01 00 00 
{73} normal block at 0x000001A6B235F4C0, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A6B235F6F0, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A6B235EE30, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A6B235EA70, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A6B235F1A0, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A6B235F150, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A6B235ED90, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A6B235F420, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A6B235EC00, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A6B235F830, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra