Task 38666485

Name test_737-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND1099_1
Workunit 31609126
Created 25 Oct 2026, 3:28:05 UTC
Sent 25 Oct 2026, 3:46:39 UTC
Report deadline 30 Oct 2026, 3:46:39 UTC
Received 25 Oct 2026, 5:09:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627872
Run time 20 min 39 sec
CPU time 19 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 45,115.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.24 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:49:37 (50180): wrapper (7.9.26016): starting
05:49:37 (50180): 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
05:49:38 (50180): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:49:38 (50180): 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
06:09:27 (50180): C:/Windows/system32/cmd.exe exited; CPU time 1161.375000
06:09:27 (50180): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 28285521 bytes.
Dumping objects ->
{3835263} normal block at 0x00000287BE780330, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x00000287BE780800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x00000287BE780D40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x00000287BCAD2E50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000287BCAD2D70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x00000287BE6DB080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000287BCAF8F70, 180 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) : {3835174} normal block at 0x00000287BCACE760, 8 bytes long.
 Data: <  &#164;&#188;&#135;   > 00 00 A4 BC 87 02 00 00 
{3834566} normal block at 0x00000287BCAF9510, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000287BCACE120, 8 bytes long.
 Data: < &#134;s&#190;&#135;   > 20 86 73 BE 87 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000287BCAC7120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000287BCABF3B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000287BCAD3770, 16 bytes long.
 Data: <(G&#173;&#188;&#135;           > 28 47 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000287BCAD36D0, 16 bytes long.
 Data: < G&#173;&#188;&#135;           > 00 47 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000287BCACF570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000287BCAD3C20, 16 bytes long.
 Data: <&#216;F&#173;&#188;&#135;           > D8 46 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000287BCAD33B0, 16 bytes long.
 Data: <&#176;F&#173;&#188;&#135;           > B0 46 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000287BCAD30E0, 16 bytes long.
 Data: < F&#173;&#188;&#135;           > 88 46 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000287BCAD3270, 16 bytes long.
 Data: <`F&#173;&#188;&#135;           > 60 46 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000287BCAD2DE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000287BCAD3EF0, 16 bytes long.
 Data: < &#215;&#172;&#188;&#135;           > 88 D7 AC BC 87 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000287BCACF0F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000287BCAD3720, 16 bytes long.
 Data: <`&#215;&#172;&#188;&#135;           > 60 D7 AC BC 87 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000287BCAD3090, 16 bytes long.
 Data: <8&#215;&#172;&#188;&#135;           > 38 D7 AC BC 87 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000287BCAD37C0, 16 bytes long.
 Data: < &#215;&#172;&#188;&#135;           > 10 D7 AC BC 87 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000287BCAD3900, 16 bytes long.
 Data: <&#232;&#214;&#172;&#188;&#135;           > E8 D6 AC BC 87 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000287BCAD3860, 16 bytes long.
 Data: <&#192;&#214;&#172;&#188;&#135;           > C0 D6 AC BC 87 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000287BCAD3040, 16 bytes long.
 Data: < &#214;&#172;&#188;&#135;           > 98 D6 AC BC 87 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000287BCACF750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000287BCAD39A0, 16 bytes long.
 Data: <p&#214;&#172;&#188;&#135;           > 70 D6 AC BC 87 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000287BCACD670, 320 bytes long.
 Data: <&#160;9&#173;&#188;&#135;   P&#247;&#172;&#188;&#135;   > A0 39 AD BC 87 02 00 00 50 F7 AC BC 87 02 00 00 
{277} normal block at 0x00000287BCAD3180, 16 bytes long.
 Data: <@F&#173;&#188;&#135;           > 40 46 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000287BCAD3F40, 16 bytes long.
 Data: < F&#173;&#188;&#135;           > 18 46 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000287BCACEEB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000287BCAD3D60, 16 bytes long.
 Data: <&#240;E&#173;&#188;&#135;           > F0 45 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000287BCACF510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000287BCAD3310, 16 bytes long.
 Data: <8E&#173;&#188;&#135;           > 38 45 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000287BCAD3F90, 16 bytes long.
 Data: < E&#173;&#188;&#135;           > 10 45 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000287BCAD3400, 16 bytes long.
 Data: <&#232;D&#173;&#188;&#135;           > E8 44 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000287BCAD34F0, 16 bytes long.
 Data: <&#192;D&#173;&#188;&#135;           > C0 44 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000287BCAD3680, 16 bytes long.
 Data: < D&#173;&#188;&#135;           > 98 44 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000287BCAD3CC0, 16 bytes long.
 Data: <pD&#173;&#188;&#135;           > 70 44 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000287BCAD3B30, 16 bytes long.
 Data: < )&#173;&#188;&#135;           > 80 29 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000287BCAD2980, 40 bytes long.
 Data: <0;&#173;&#188;&#135;    &#176;m&#190;&#135;   > 30 3B AD BC 87 02 00 00 80 B0 6D BE 87 02 00 00 
{263} normal block at 0x00000287BCAD3D10, 16 bytes long.
 Data: <PD&#173;&#188;&#135;           > 50 44 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000287BCAD3630, 16 bytes long.
 Data: <(D&#173;&#188;&#135;           > 28 44 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000287BCACF690, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000287BCAD38B0, 16 bytes long.
 Data: < D&#173;&#188;&#135;           > 00 44 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000287BCAD4400, 992 bytes long.
 Data: <&#176;8&#173;&#188;&#135;    &#246;&#172;&#188;&#135;   > B0 38 AD BC 87 02 00 00 90 F6 AC BC 87 02 00 00 
{95} normal block at 0x00000287BCACEC70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000287BCACD9A0, 16 bytes long.
 Data: < )&#173;&#188;&#135;           > 10 29 AD BC 87 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000287BCAD2910, 40 bytes long.
 Data: <&#160;&#217;&#172;&#188;&#135;   p&#236;&#172;&#188;&#135;   > A0 D9 AC BC 87 02 00 00 70 EC AC BC 87 02 00 00 
{72} normal block at 0x00000287BCACDCC0, 16 bytes long.
 Data: < &#234;&#200;&#210;&#247;           > 80 EA C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000287BCACDDB0, 16 bytes long.
 Data: <@&#233;&#200;&#210;&#247;           > 40 E9 C8 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000287BCACDF90, 16 bytes long.
 Data: <&#248;W&#197;&#210;&#247;           > F8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000287BCACE580, 16 bytes long.
 Data: <&#216;W&#197;&#210;&#247;           > D8 57 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000287BCACDF40, 16 bytes long.
 Data: <P &#197;&#210;&#247;           > 50 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000287BCACE490, 16 bytes long.
 Data: <0 &#197;&#210;&#247;           > 30 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000287BCACDB80, 16 bytes long.
 Data: <&#224; &#197;&#210;&#247;           > E0 02 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000287BCACE5D0, 16 bytes long.
 Data: <  &#197;&#210;&#247;           > 10 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000287BCACDEF0, 16 bytes long.
 Data: <p &#197;&#210;&#247;           > 70 04 C5 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000287BCACE670, 16 bytes long.
 Data: < &#192;&#195;&#210;&#247;           > 18 C0 C3 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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