Task 38685998

Name test_443-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4852_0
Workunit 31627448
Created 28 Oct 2026, 0:06:23 UTC
Sent 28 Oct 2026, 0:06:25 UTC
Report deadline 2 Nov 2026, 0:06:25 UTC
Received 28 Oct 2026, 1:19:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 21 min 1 sec
CPU time 20 min 39 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 689.12 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:55:55 (11536): wrapper (7.9.26016): starting
19:55:55 (11536): 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
19:55:56 (11536): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:55:56 (11536): 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
20:16:22 (11536): C:/Windows/system32/cmd.exe exited; CPU time 1239.062500
20:16:22 (11536): 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: 15300521 bytes.
Dumping objects ->
{3835569} normal block at 0x0000020C13E139D0, 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 0x0000020C13E13F10, 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 0x0000020C13E13EA0, 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 0x0000020C13E13DC0, 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 0x0000020C13E13E30, 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 0x0000020C15C16E30, 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 0x0000020C13DFE090, 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 0x0000020C13E0EDB0, 8 bytes long.
 Data: <  *     > 00 00 2A 14 0C 02 00 00 
{3834703} normal block at 0x0000020C13DFDE00, 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 0x0000020C13E0F0D0, 8 bytes long.
 Data: <&#192;&#234;&#238;     > C0 EA EE 13 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020C13E10290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020C13E004A0, 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 0x0000020C13E14630, 16 bytes long.
 Data: < ]&#225;             > 18 5D E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020C13E152B0, 16 bytes long.
 Data: <&#240;\&#225;             > F0 5C E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C13E0FD00, 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 0x0000020C13E15210, 16 bytes long.
 Data: <&#200;\&#225;             > C8 5C E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C13E146D0, 16 bytes long.
 Data: <&#160;\&#225;             > A0 5C E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C13E15440, 16 bytes long.
 Data: <x\&#225;             > 78 5C E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020C13E15580, 16 bytes long.
 Data: <P\&#225;             > 50 5C E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C13DFE5A0, 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 0x0000020C13E14A40, 16 bytes long.
 Data: <8&#229;&#223;             > 38 E5 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C13E0F7C0, 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 0x0000020C13E14900, 16 bytes long.
 Data: < &#229;&#223;             > 10 E5 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C13E149A0, 16 bytes long.
 Data: <&#232;&#228;&#223;             > E8 E4 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C13E151C0, 16 bytes long.
 Data: <&#192;&#228;&#223;             > C0 E4 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C13E15120, 16 bytes long.
 Data: < &#228;&#223;             > 98 E4 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C13E14B80, 16 bytes long.
 Data: <p&#228;&#223;             > 70 E4 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C13E150D0, 16 bytes long.
 Data: <H&#228;&#223;             > 48 E4 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C13E0FF40, 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 0x0000020C13E15080, 16 bytes long.
 Data: < &#228;&#223;             > 20 E4 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C13DFE420, 320 bytes long.
 Data: < P&#225;     @&#255;&#224;     > 80 50 E1 13 0C 02 00 00 40 FF E0 13 0C 02 00 00 
{273} normal block at 0x0000020C13E14EA0, 16 bytes long.
 Data: <0\&#225;             > 30 5C E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020C13E15030, 16 bytes long.
 Data: < \&#225;             > 08 5C E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C13E0F9A0, 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 0x0000020C13E14A90, 16 bytes long.
 Data: <&#224;[&#225;             > E0 5B E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C13E0FFA0, 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 0x0000020C13E15350, 16 bytes long.
 Data: <([&#225;             > 28 5B E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C13E14AE0, 16 bytes long.
 Data: < [&#225;             > 00 5B E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C13E15300, 16 bytes long.
 Data: <&#216;Z&#225;             > D8 5A E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C13E14EF0, 16 bytes long.
 Data: <&#176;Z&#225;             > B0 5A E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C13E14FE0, 16 bytes long.
 Data: < Z&#225;             > 88 5A E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C13E14C70, 16 bytes long.
 Data: <`Z&#225;             > 60 5A E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C13E14E50, 16 bytes long.
 Data: <&#208;&#209;&#223;             > D0 D1 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C13DFD1D0, 40 bytes long.
 Data: <PN&#225;     0n&#193;     > 50 4E E1 13 0C 02 00 00 30 6E C1 15 0C 02 00 00 
{259} normal block at 0x0000020C13E14F40, 16 bytes long.
 Data: <@Z&#225;             > 40 5A E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020C13E14D10, 16 bytes long.
 Data: < Z&#225;             > 18 5A E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C13E0F340, 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 0x0000020C13E15170, 16 bytes long.
 Data: <&#240;Y&#225;             > F0 59 E1 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020C13E159F0, 992 bytes long.
 Data: <pQ&#225;     @&#243;&#224;     > 70 51 E1 13 0C 02 00 00 40 F3 E0 13 0C 02 00 00 
{91} normal block at 0x0000020C13E0F460, 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 0x0000020C13E0E860, 16 bytes long.
 Data: <&#224;&#197;&#223;             > E0 C5 DF 13 0C 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020C13DFC5E0, 40 bytes long.
 Data: <`&#232;&#224;     `&#244;&#224;     > 60 E8 E0 13 0C 02 00 00 60 F4 E0 13 0C 02 00 00 
{68} normal block at 0x0000020C13E0E5E0, 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 0x0000020C13E0EB30, 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 0x0000020C13E0E590, 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 0x0000020C13E0E4A0, 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 0x0000020C13E0E630, 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 0x0000020C13E0E8B0, 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 0x0000020C13E0E540, 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 0x0000020C13E0E770, 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 0x0000020C13E0EE00, 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 0x0000020C13E0E450, 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>
]]>


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