Task 38660807

Name test_245-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND6089_0
Workunit 31604277
Created 24 Oct 2026, 14:46:18 UTC
Sent 24 Oct 2026, 14:56:29 UTC
Report deadline 29 Oct 2026, 14:56:29 UTC
Received 24 Oct 2026, 16:24:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 1 hours 0 min 22 sec
CPU time 47 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.42 MB
Peak swap size 6.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:20:22 (1472): wrapper (7.9.26016): starting
08:20:22 (1472): 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
08:20:27 (1472): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:20:27 (1472): 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\2\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\2\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
09:21:38 (1472): C:/Windows/system32/cmd.exe exited; CPU time 2837.843750
09:21:38 (1472): 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: 46791063 bytes.
Dumping objects ->
{3835561} normal block at 0x000002503BC1E2D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x000002503A0A6290, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000002503A0A6220, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x000002503A0A5F80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x000002503A0A5F10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x000002503BC661A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000002503BC7FA00, 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) : {3835472} normal block at 0x000002503A09F070, 8 bytes long.
 Data: <  <:P   > 00 00 3C 3A 50 02 00 00 
{3834691} normal block at 0x000002503BC7FCC0, 102 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 0x000002503A09F250, 8 bytes long.
 Data: < &#196; :P   > 10 C4 0C 3A 50 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002503A08F7A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002503A08E8C0, 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 0x000002503A0A74F0, 16 bytes long.
 Data: <(y :P           > 28 79 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002503A0A6960, 16 bytes long.
 Data: < y :P           > 00 79 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002503A0A0140, 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 0x000002503A0A6730, 16 bytes long.
 Data: <&#216;x :P           > D8 78 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002503A0A7220, 16 bytes long.
 Data: <&#176;x :P           > B0 78 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002503A0A6DC0, 16 bytes long.
 Data: < x :P           > 88 78 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002503A0A7540, 16 bytes long.
 Data: <`x :P           > 60 78 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002503A0A6300, 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 0x000002503A0A6EB0, 16 bytes long.
 Data: <&#168;&#237;	:P           > A8 ED 09 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002503A0A0620, 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 0x000002503A0A6E60, 16 bytes long.
 Data: < &#237;	:P           > 80 ED 09 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002503A0A6910, 16 bytes long.
 Data: <X&#237;	:P           > 58 ED 09 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002503A0A74A0, 16 bytes long.
 Data: <0&#237;	:P           > 30 ED 09 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002503A0A7400, 16 bytes long.
 Data: < &#237;	:P           > 08 ED 09 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002503A0A67D0, 16 bytes long.
 Data: <&#224;&#236;	:P           > E0 EC 09 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002503A0A73B0, 16 bytes long.
 Data: <&#184;&#236;	:P           > B8 EC 09 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002503A0A0D40, 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 0x000002503A0A70E0, 16 bytes long.
 Data: < &#236;	:P           > 90 EC 09 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002503A09EC90, 320 bytes long.
 Data: <&#224;p :P   @  :P   > E0 70 0A 3A 50 02 00 00 40 0D 0A 3A 50 02 00 00 
{277} normal block at 0x000002503A0A7360, 16 bytes long.
 Data: <@x :P           > 40 78 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002503A0A6C80, 16 bytes long.
 Data: < x :P           > 18 78 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002503A0A0C80, 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 0x000002503A0A6E10, 16 bytes long.
 Data: <&#240;w :P           > F0 77 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002503A0A0CE0, 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 0x000002503A0A72C0, 16 bytes long.
 Data: <8w :P           > 38 77 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002503A0A7310, 16 bytes long.
 Data: < w :P           > 10 77 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002503A0A6690, 16 bytes long.
 Data: <&#232;v :P           > E8 76 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002503A0A68C0, 16 bytes long.
 Data: <&#192;v :P           > C0 76 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002503A0A6870, 16 bytes long.
 Data: < v :P           > 98 76 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002503A0A6640, 16 bytes long.
 Data: <pv :P           > 70 76 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002503A0A7450, 16 bytes long.
 Data: <pc :P           > 70 63 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002503A0A6370, 40 bytes long.
 Data: <Pt :P   &#160;a&#198;;P   > 50 74 0A 3A 50 02 00 00 A0 61 C6 3B 50 02 00 00 
{263} normal block at 0x000002503A0A7590, 16 bytes long.
 Data: <Pv :P           > 50 76 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002503A0A7270, 16 bytes long.
 Data: <(v :P           > 28 76 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002503A0A0B60, 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 0x000002503A0A6AF0, 16 bytes long.
 Data: < v :P           > 00 76 0A 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002503A0A7600, 992 bytes long.
 Data: <&#240;j :P   `  :P   > F0 6A 0A 3A 50 02 00 00 60 0B 0A 3A 50 02 00 00 
{95} normal block at 0x000002503A0A0A40, 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 0x000002503A09F2F0, 16 bytes long.
 Data: <&#176; 	:P           > B0 0B 09 3A 50 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002503A090BB0, 40 bytes long.
 Data: <&#240;&#242;	:P   @  :P   > F0 F2 09 3A 50 02 00 00 40 0A 0A 3A 50 02 00 00 
{72} normal block at 0x000002503A09EFD0, 16 bytes long.
 Data: < &#234;^~&#247;           > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002503A09F200, 16 bytes long.
 Data: <@&#233;^~&#247;           > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002503A09FB60, 16 bytes long.
 Data: <&#248;W[~&#247;           > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002503A09FC50, 16 bytes long.
 Data: <&#216;W[~&#247;           > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002503A09EF80, 16 bytes long.
 Data: <P [~&#247;           > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002503A09F480, 16 bytes long.
 Data: <0 [~&#247;           > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002503A09F1B0, 16 bytes long.
 Data: <&#224; [~&#247;           > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002503A09F160, 16 bytes long.
 Data: <  [~&#247;           > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002503A09EF30, 16 bytes long.
 Data: <p [~&#247;           > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002503A09FBB0, 16 bytes long.
 Data: < &#192;Y~&#247;           > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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