Task 38682629

Name test_378-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND5074_1
Workunit 31622730
Created 27 Oct 2026, 8:27:00 UTC
Sent 27 Oct 2026, 8:27:02 UTC
Report deadline 1 Nov 2026, 8:27:02 UTC
Received 27 Oct 2026, 9:48:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 20 min 24 sec
CPU time 19 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,700.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.70 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:24:46 (8720): wrapper (7.9.26016): starting
04:24:46 (8720): 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
04:24:47 (8720): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:24:47 (8720): 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
04:44:37 (8720): C:/Windows/system32/cmd.exe exited; CPU time 1189.390625
04:44:37 (8720): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14804429 bytes.
Dumping objects ->
{3835569} normal block at 0x0000015D764F5D50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x0000015D764F5C00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000015D764F61B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x0000015D764F5DC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000015D764F6290, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x0000015D7816BD90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x0000015D7805EBE0, 235 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) : {3835480} normal block at 0x0000015D764F0F80, 8 bytes long.
 Data: <  Jv]   > 00 00 4A 76 5D 01 00 00 
{3834703} normal block at 0x0000015D7805EE90, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000015D764F0EE0, 8 bytes long.
 Data: <&#176;8 x]   > B0 38 1F 78 5D 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000015D764F2280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015D764E80B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000015D764F75B0, 16 bytes long.
 Data: < }Ov]           > 08 7D 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015D764F7510, 16 bytes long.
 Data: <&#224;|Ov]           > E0 7C 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015D764F17B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000015D764F7920, 16 bytes long.
 Data: <&#184;|Ov]           > B8 7C 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015D764F6BB0, 16 bytes long.
 Data: < |Ov]           > 90 7C 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015D764F7470, 16 bytes long.
 Data: <h|Ov]           > 68 7C 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015D764F7420, 16 bytes long.
 Data: <@|Ov]           > 40 7C 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015D764DE980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000015D764F73D0, 16 bytes long.
 Data: < &#233;Mv]           > 18 E9 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015D764F1E70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000015D764F71F0, 16 bytes long.
 Data: <&#240;&#232;Mv]           > F0 E8 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015D764F6CF0, 16 bytes long.
 Data: <&#200;&#232;Mv]           > C8 E8 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015D764F70B0, 16 bytes long.
 Data: <&#160;&#232;Mv]           > A0 E8 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015D764F6B60, 16 bytes long.
 Data: <x&#232;Mv]           > 78 E8 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015D764F6ED0, 16 bytes long.
 Data: <P&#232;Mv]           > 50 E8 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015D764F6E30, 16 bytes long.
 Data: <(&#232;Mv]           > 28 E8 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015D764F1510, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000015D764F6B10, 16 bytes long.
 Data: < &#232;Mv]           > 00 E8 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015D764DE800, 320 bytes long.
 Data: < kOv]     Ov]   > 10 6B 4F 76 5D 01 00 00 10 15 4F 76 5D 01 00 00 
{273} normal block at 0x0000015D764F78D0, 16 bytes long.
 Data: < |Ov]           > 20 7C 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015D764F7790, 16 bytes long.
 Data: <&#248;{Ov]           > F8 7B 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015D764F1570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000015D764F6A70, 16 bytes long.
 Data: <&#208;{Ov]           > D0 7B 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015D764F1390, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000015D764F7290, 16 bytes long.
 Data: < {Ov]           > 18 7B 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015D764F6AC0, 16 bytes long.
 Data: <&#240;zOv]           > F0 7A 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015D764F6FC0, 16 bytes long.
 Data: <&#200;zOv]           > C8 7A 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015D764F7240, 16 bytes long.
 Data: <&#160;zOv]           > A0 7A 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015D764F72E0, 16 bytes long.
 Data: <xzOv]           > 78 7A 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015D764F6C50, 16 bytes long.
 Data: <PzOv]           > 50 7A 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015D764F6CA0, 16 bytes long.
 Data: < &#192;Mv]           > 10 C0 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015D764DC010, 40 bytes long.
 Data: <&#160;lOv]    &#189; x]   > A0 6C 4F 76 5D 01 00 00 90 BD 16 78 5D 01 00 00 
{259} normal block at 0x0000015D764F71A0, 16 bytes long.
 Data: <0zOv]           > 30 7A 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015D764F7060, 16 bytes long.
 Data: < zOv]           > 08 7A 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015D764F1990, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000015D764F74C0, 16 bytes long.
 Data: <&#224;yOv]           > E0 79 4F 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015D764F79E0, 992 bytes long.
 Data: <&#192;tOv]     Ov]   > C0 74 4F 76 5D 01 00 00 90 19 4F 76 5D 01 00 00 
{91} normal block at 0x0000015D764F12D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000015D764F0850, 16 bytes long.
 Data: <&#224;&#197;Mv]           > E0 C5 4D 76 5D 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000015D764DC5E0, 40 bytes long.
 Data: <P Ov]   &#208; Ov]   > 50 08 4F 76 5D 01 00 00 D0 12 4F 76 5D 01 00 00 
{68} normal block at 0x0000015D764F10C0, 16 bytes long.
 Data: < &#234;&#174;&#188;&#246;           > 80 EA AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015D764F03F0, 16 bytes long.
 Data: <@&#233;&#174;&#188;&#246;           > 40 E9 AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015D764F0E40, 16 bytes long.
 Data: <&#248;W&#171;&#188;&#246;           > F8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015D764F0F30, 16 bytes long.
 Data: <&#216;W&#171;&#188;&#246;           > D8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015D764F0D50, 16 bytes long.
 Data: <P &#171;&#188;&#246;           > 50 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015D764F0990, 16 bytes long.
 Data: <0 &#171;&#188;&#246;           > 30 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015D764F0760, 16 bytes long.
 Data: <&#224; &#171;&#188;&#246;           > E0 02 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015D764F0DF0, 16 bytes long.
 Data: <  &#171;&#188;&#246;           > 10 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015D764F0620, 16 bytes long.
 Data: <p &#171;&#188;&#246;           > 70 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015D764F0940, 16 bytes long.
 Data: < &#192;&#169;&#188;&#246;           > 18 C0 A9 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra