Task 38698917

Name test_263-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND3083_1
Workunit 31631724
Created 3 Nov 2026, 6:56:49 UTC
Sent 3 Nov 2026, 6:56:51 UTC
Report deadline 8 Nov 2026, 6:56:51 UTC
Received 3 Nov 2026, 7:56:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 27 min 1 sec
CPU time 26 min 4 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 742.29 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:26:28 (5348): wrapper (7.9.26016): starting
01:26:28 (5348): 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
01:26:29 (5348): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:26:29 (5348): 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\30\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\30\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
01:52:36 (5348): C:/Windows/system32/cmd.exe exited; CPU time 1564.781250
01:52:36 (5348): 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: 23788625 bytes.
Dumping objects ->
{3835569} normal block at 0x0000020211F240D0, 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 0x0000020211F23F10, 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 0x0000020211F23D50, 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 0x0000020211F241B0, 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 0x0000020211F24060, 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 0x0000020213C44DB0, 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 0x0000020211FFE5D0, 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 0x0000020211F1E490, 8 bytes long.
 Data: <  &#239;     > 00 00 EF 11 02 02 00 00 
{3834703} normal block at 0x0000020213CA4B20, 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 0x0000020211F1ED50, 8 bytes long.
 Data: < E&#202;     > 10 45 CA 13 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020211F20A50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020211F166F0, 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 0x0000020211F24710, 16 bytes long.
 Data: <X]&#242;             > 58 5D F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020211F25520, 16 bytes long.
 Data: <0]&#242;             > 30 5D F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020211F1F380, 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 0x0000020211F255C0, 16 bytes long.
 Data: < ]&#242;             > 08 5D F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020211F25430, 16 bytes long.
 Data: <&#224;\&#242;             > E0 5C F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020211F25160, 16 bytes long.
 Data: <&#184;\&#242;             > B8 5C F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020211F24990, 16 bytes long.
 Data: < \&#242;             > 90 5C F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020211F18E90, 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 0x0000020211F252A0, 16 bytes long.
 Data: <(&#142;&#241;             > 28 8E F1 11 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020211F1F680, 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 0x0000020211F24940, 16 bytes long.
 Data: < &#142;&#241;             > 00 8E F1 11 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020211F25390, 16 bytes long.
 Data: <&#216; &#241;             > D8 8D F1 11 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020211F25110, 16 bytes long.
 Data: <&#176; &#241;             > B0 8D F1 11 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020211F250C0, 16 bytes long.
 Data: <  &#241;             > 88 8D F1 11 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020211F24DA0, 16 bytes long.
 Data: <` &#241;             > 60 8D F1 11 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020211F24B20, 16 bytes long.
 Data: <8 &#241;             > 38 8D F1 11 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020211F1FD40, 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 0x0000020211F24850, 16 bytes long.
 Data: <  &#241;             > 10 8D F1 11 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020211F18D10, 320 bytes long.
 Data: <PH&#242;     @&#253;&#241;     > 50 48 F2 11 02 02 00 00 40 FD F1 11 02 02 00 00 
{273} normal block at 0x0000020211F24A30, 16 bytes long.
 Data: <p\&#242;             > 70 5C F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020211F24E90, 16 bytes long.
 Data: <H\&#242;             > 48 5C F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020211F1F320, 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 0x0000020211F24AD0, 16 bytes long.
 Data: < \&#242;             > 20 5C F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020211F1F620, 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 0x0000020211F248F0, 16 bytes long.
 Data: <h[&#242;             > 68 5B F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020211F24BC0, 16 bytes long.
 Data: <@[&#242;             > 40 5B F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020211F24E40, 16 bytes long.
 Data: < [&#242;             > 18 5B F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020211F248A0, 16 bytes long.
 Data: <&#240;Z&#242;             > F0 5A F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020211F24A80, 16 bytes long.
 Data: <&#200;Z&#242;             > C8 5A F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020211F24F80, 16 bytes long.
 Data: <&#160;Z&#242;             > A0 5A F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020211F25070, 16 bytes long.
 Data: <&#192;4&#241;             > C0 34 F1 11 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020211F134C0, 40 bytes long.
 Data: <pP&#242;     &#176;M&#196;     > 70 50 F2 11 02 02 00 00 B0 4D C4 13 02 02 00 00 
{259} normal block at 0x0000020211F25250, 16 bytes long.
 Data: < Z&#242;             > 80 5A F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020211F24FD0, 16 bytes long.
 Data: <XZ&#242;             > 58 5A F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020211F1F7A0, 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 0x0000020211F25020, 16 bytes long.
 Data: <0Z&#242;             > 30 5A F2 11 02 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020211F25A30, 992 bytes long.
 Data: < P&#242;     &#160;&#247;&#241;     > 20 50 F2 11 02 02 00 00 A0 F7 F1 11 02 02 00 00 
{91} normal block at 0x0000020211F1F560, 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 0x0000020211F1ECB0, 16 bytes long.
 Data: <&#160;&#219;&#240;             > A0 DB F0 11 02 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020211F0DBA0, 40 bytes long.
 Data: <&#176;&#236;&#241;     `&#245;&#241;     > B0 EC F1 11 02 02 00 00 60 F5 F1 11 02 02 00 00 
{68} normal block at 0x0000020211F1F020, 16 bytes long.
 Data: < &#234;&#133;&#161;&#246;           > 80 EA 85 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020211F1EF30, 16 bytes long.
 Data: <@&#233;&#133;&#161;&#246;           > 40 E9 85 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020211F1E5D0, 16 bytes long.
 Data: <&#248;W&#130;&#161;&#246;           > F8 57 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020211F1EFD0, 16 bytes long.
 Data: <&#216;W&#130;&#161;&#246;           > D8 57 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020211F1E990, 16 bytes long.
 Data: <P &#130;&#161;&#246;           > 50 04 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020211F1E620, 16 bytes long.
 Data: <0 &#130;&#161;&#246;           > 30 04 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020211F1E760, 16 bytes long.
 Data: <&#224; &#130;&#161;&#246;           > E0 02 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020211F1E440, 16 bytes long.
 Data: <  &#130;&#161;&#246;           > 10 04 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020211F1EDA0, 16 bytes long.
 Data: <p &#130;&#161;&#246;           > 70 04 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020211F1F160, 16 bytes long.
 Data: < &#192; &#161;&#246;           > 18 C0 80 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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