Task 38661541

Name test_927-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND5671_0
Workunit 31604953
Created 24 Oct 2026, 15:55:05 UTC
Sent 24 Oct 2026, 15:58:27 UTC
Report deadline 29 Oct 2026, 15:58:27 UTC
Received 24 Oct 2026, 22:17:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631047
Run time 2 hours 21 min 27 sec
CPU time 1 hours 16 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,933.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.83 MB
Peak swap size 9.21 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:20:47 (29028): wrapper (7.9.26016): starting
01:20:47 (29028): 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
01:20:52 (29028): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:20:52 (29028): 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
03:39:09 (29028): C:/Windows/system32/cmd.exe exited; CPU time 4585.562500
03:39:09 (29028): 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: 114048159 bytes.
Dumping objects ->
{3835556} normal block at 0x00000218F2A44600, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x00000218F2A444B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x00000218F2A44590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835523} normal block at 0x00000218F2A44A60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835512} normal block at 0x00000218F2A449F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835481} normal block at 0x00000218F4BC8370, 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) : {3835467} normal block at 0x00000218F2A3E670, 8 bytes long.
 Data: <        > 00 00 02 F3 18 02 00 00 
{3834045} normal block at 0x00000218F2A3ECB0, 8 bytes long.
 Data: <  &#177;     > 80 EB B1 F2 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000218F2A409B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000218F2A35B10, 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 0x00000218F2A44FC0, 16 bytes long.
 Data: <8_&#164;             > 38 5F A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000218F2A44CF0, 16 bytes long.
 Data: < _&#164;             > 10 5F A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000218F2A3F880, 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 0x00000218F2A45880, 16 bytes long.
 Data: < ^&#164;             > E8 5E A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000218F2A44C50, 16 bytes long.
 Data: <&#192;^&#164;             > C0 5E A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000218F2A45510, 16 bytes long.
 Data: < ^&#164;             > 98 5E A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000218F2A451F0, 16 bytes long.
 Data: <p^&#164;             > 70 5E A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000218F2A446E0, 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 0x00000218F2A45790, 16 bytes long.
 Data: <&#216; &#162;             > D8 F3 A2 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000218F2A3FAC0, 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 0x00000218F2A44DE0, 16 bytes long.
 Data: <&#176; &#162;             > B0 F3 A2 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000218F2A45830, 16 bytes long.
 Data: <  &#162;             > 88 F3 A2 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000218F2A45060, 16 bytes long.
 Data: <` &#162;             > 60 F3 A2 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000218F2A45470, 16 bytes long.
 Data: <8 &#162;             > 38 F3 A2 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000218F2A454C0, 16 bytes long.
 Data: <  &#162;             > 10 F3 A2 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000218F2A45380, 16 bytes long.
 Data: <  &#162;             > E8 F2 A2 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000218F2A3F4C0, 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 0x00000218F2A45290, 16 bytes long.
 Data: <&#192; &#162;             > C0 F2 A2 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000218F2A2F2C0, 320 bytes long.
 Data: < R&#164;     &#192; &#163;     > 90 52 A4 F2 18 02 00 00 C0 F4 A3 F2 18 02 00 00 
{273} normal block at 0x00000218F2A455B0, 16 bytes long.
 Data: <P^&#164;             > 50 5E A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000218F2A450B0, 16 bytes long.
 Data: <(^&#164;             > 28 5E A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000218F2A3FD00, 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 0x00000218F2A45740, 16 bytes long.
 Data: < ^&#164;             > 00 5E A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000218F2A3F760, 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 0x00000218F2A451A0, 16 bytes long.
 Data: <H]&#164;             > 48 5D A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000218F2A459C0, 16 bytes long.
 Data: < ]&#164;             > 20 5D A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000218F2A45100, 16 bytes long.
 Data: < \&#164;             > F8 5C A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000218F2A456A0, 16 bytes long.
 Data: <&#208;\&#164;             > D0 5C A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000218F2A45920, 16 bytes long.
 Data: <&#168;\&#164;             > A8 5C A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000218F2A44D40, 16 bytes long.
 Data: < \&#164;             > 80 5C A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000218F2A45150, 16 bytes long.
 Data: < E&#164;             > 20 45 A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000218F2A44520, 40 bytes long.
 Data: <PQ&#164;     p &#188;     > 50 51 A4 F2 18 02 00 00 70 83 BC F4 18 02 00 00 
{259} normal block at 0x00000218F2A45420, 16 bytes long.
 Data: <`\&#164;             > 60 5C A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000218F2A45BA0, 16 bytes long.
 Data: <8\&#164;             > 38 5C A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000218F2A3F520, 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 0x00000218F2A45650, 16 bytes long.
 Data: < \&#164;             > 10 5C A4 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000218F2A45C10, 992 bytes long.
 Data: <PV&#164;       &#163;     > 50 56 A4 F2 18 02 00 00 20 F5 A3 F2 18 02 00 00 
{91} normal block at 0x00000218F2A3EF20, 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 0x00000218F2A3E080, 16 bytes long.
 Data: <p &#162;             > 70 EF A2 F2 18 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000218F2A2EF70, 40 bytes long.
 Data: <  &#163;       &#163;     > 80 E0 A3 F2 18 02 00 00 20 EF A3 F2 18 02 00 00 
{66} normal block at 0x00000218F2A3DEF0, 16 bytes long.
 Data: <                > 80 EA 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000218F2A3DEA0, 16 bytes long.
 Data: <@               > 40 E9 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000218F2A3E8A0, 16 bytes long.
 Data: < W              > F8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000218F2A3E620, 16 bytes long.
 Data: <&#216;W              > D8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000218F2A3E030, 16 bytes long.
 Data: <P               > 50 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000218F2A3E210, 16 bytes long.
 Data: <0               > 30 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000218F2A3E170, 16 bytes long.
 Data: <                > E0 02 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000218F2A3EC60, 16 bytes long.
 Data: <                > 10 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000218F2A3DFE0, 16 bytes long.
 Data: <p               > 70 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000218F2A3E350, 16 bytes long.
 Data: < &#192;              > 18 C0 FC FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra