Task 38682840

Name test_766-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4433_1
Workunit 31624269
Created 27 Oct 2026, 9:20:39 UTC
Sent 27 Oct 2026, 9:20:46 UTC
Report deadline 1 Nov 2026, 9:20:46 UTC
Received 27 Oct 2026, 12:12:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615987
Run time 1 hours 10 min 5 sec
CPU time 1 hours 2 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.87 MB
Peak swap size 2.18 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:04:08 (6012): wrapper (7.9.26016): starting
12:04:08 (6012): 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
12:04:11 (6012): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:04:11 (6012): 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
13:12:09 (6012): C:/Windows/system32/cmd.exe exited; CPU time 3765.406250
13:12:09 (6012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
776 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: 39371954 bytes.
Dumping objects ->
{3835248} normal block at 0x0000013931E61170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000013931E60C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000013931E61640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000013931E61410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000013931E60D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000013931F0D640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835162} normal block at 0x0000013930464670, 260 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) : {3835159} normal block at 0x00000139304581A0, 8 bytes long.
 Data: <  &#206;19   > 00 00 CE 31 39 01 00 00 
{3834558} normal block at 0x000001393053EEB0, 260 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000013930458B00, 8 bytes long.
 Data: <0&#234;S09   > 30 EA 53 30 39 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000139304628A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013930445B80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000013930463E30, 16 bytes long.
 Data: <HKF09           > 48 4B 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013930463ED0, 16 bytes long.
 Data: < KF09           > 20 4B 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001393045EA50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000013930463F70, 16 bytes long.
 Data: <&#248;JF09           > F8 4A 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000139304636B0, 16 bytes long.
 Data: <&#208;JF09           > D0 4A 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013930463DE0, 16 bytes long.
 Data: <&#168;JF09           > A8 4A 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013930463D90, 16 bytes long.
 Data: < JF09           > 80 4A 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001393045C9B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000013930463D40, 16 bytes long.
 Data: < [D09           > 18 5B 44 30 39 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001393045E750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000139304644C0, 16 bytes long.
 Data: <&#240;ZD09           > F0 5A 44 30 39 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013930464100, 16 bytes long.
 Data: <&#200;ZD09           > C8 5A 44 30 39 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013930463F20, 16 bytes long.
 Data: <&#160;ZD09           > A0 5A 44 30 39 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013930463CA0, 16 bytes long.
 Data: <xZD09           > 78 5A 44 30 39 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013930463C50, 16 bytes long.
 Data: <PZD09           > 50 5A 44 30 39 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013930464470, 16 bytes long.
 Data: <(ZD09           > 28 5A 44 30 39 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001393045E270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000013930463C00, 16 bytes long.
 Data: < ZD09           > 00 5A 44 30 39 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013930445A00, 320 bytes long.
 Data: < <F09   p&#226;E09   > 00 3C 46 30 39 01 00 00 70 E2 45 30 39 01 00 00 
{272} normal block at 0x00000139304637F0, 16 bytes long.
 Data: <`JF09           > 60 4A 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013930463BB0, 16 bytes long.
 Data: <8JF09           > 38 4A 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001393045DF10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000013930463B60, 16 bytes long.
 Data: < JF09           > 10 4A 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001393045E8D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000139304639D0, 16 bytes long.
 Data: <XIF09           > 58 49 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013930463A20, 16 bytes long.
 Data: <0IF09           > 30 49 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000139304642E0, 16 bytes long.
 Data: < IF09           > 08 49 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013930464240, 16 bytes long.
 Data: <&#224;HF09           > E0 48 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013930463CF0, 16 bytes long.
 Data: <&#184;HF09           > B8 48 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013930464420, 16 bytes long.
 Data: < HF09           > 90 48 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000139304637A0, 16 bytes long.
 Data: < &#202;E09           > 20 CA 45 30 39 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001393045CA20, 40 bytes long.
 Data: <&#160;7F09   @&#214;&#240;19   > A0 37 46 30 39 01 00 00 40 D6 F0 31 39 01 00 00 
{258} normal block at 0x0000013930463930, 16 bytes long.
 Data: <pHF09           > 70 48 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000139304641A0, 16 bytes long.
 Data: <HHF09           > 48 48 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001393045E210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000139304638E0, 16 bytes long.
 Data: < HF09           > 20 48 46 30 39 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000013930464820, 992 bytes long.
 Data: <&#224;8F09    &#226;E09   > E0 38 46 30 39 01 00 00 10 E2 45 30 39 01 00 00 
{90} normal block at 0x000001393045ED50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000013930457ED0, 16 bytes long.
 Data: <&#192;&#204;E09           > C0 CC 45 30 39 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001393045CCC0, 40 bytes long.
 Data: <&#208;~E09   P&#237;E09   > D0 7E 45 30 39 01 00 00 50 ED 45 30 39 01 00 00 
{67} normal block at 0x0000013930458A10, 16 bytes long.
 Data: < &#234;&#149;C&#246;           > 80 EA 95 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013930457E80, 16 bytes long.
 Data: <@&#233;&#149;C&#246;           > 40 E9 95 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000139304583D0, 16 bytes long.
 Data: <&#248;W&#146;C&#246;           > F8 57 92 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013930458600, 16 bytes long.
 Data: <&#216;W&#146;C&#246;           > D8 57 92 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013930458970, 16 bytes long.
 Data: <P &#146;C&#246;           > 50 04 92 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013930458560, 16 bytes long.
 Data: <0 &#146;C&#246;           > 30 04 92 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000139304587E0, 16 bytes long.
 Data: <&#224; &#146;C&#246;           > E0 02 92 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000013930458010, 16 bytes long.
 Data: <  &#146;C&#246;           > 10 04 92 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000139304582E0, 16 bytes long.
 Data: <p &#146;C&#246;           > 70 04 92 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000013930457D90, 16 bytes long.
 Data: < &#192; C&#246;           > 18 C0 90 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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