Task 38687771

Name test_678-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2907_0
Workunit 31629151
Created 28 Oct 2026, 9:41:54 UTC
Sent 28 Oct 2026, 9:42:00 UTC
Report deadline 2 Nov 2026, 9:42:00 UTC
Received 28 Oct 2026, 10:46:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 34 min 54 sec
CPU time 33 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.22 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:03:00 (27704): wrapper (7.9.26016): starting
06:03:00 (27704): 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
06:03:01 (27704): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:03:01 (27704): 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
06:36:33 (27704): C:/Windows/system32/cmd.exe exited; CPU time 2001.062500
06:36:33 (27704): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 32678827 bytes.
Dumping objects ->
{3835185} normal block at 0x000001567A424840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x000001567A424D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001567A424D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x000001567A424B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x000001567A424A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x000001567C2652C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835097} normal block at 0x000001567A4205A0, 8 bytes long.
 Data: <  &#147;zV   > 00 00 93 7A 56 01 00 00 
{3833953} normal block at 0x000001567A4212C0, 8 bytes long.
 Data: <&#208;&#168;DzV   > D0 A8 44 7A 56 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001567A41F1B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001567A416070, 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 0x000001567A425CF0, 16 bytes long.
 Data: <&#200;fBzV           > C8 66 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001567A425AC0, 16 bytes long.
 Data: <&#160;fBzV           > A0 66 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001567A41FBE0, 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 0x000001567A425C00, 16 bytes long.
 Data: <xfBzV           > 78 66 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001567A425C50, 16 bytes long.
 Data: <PfBzV           > 50 66 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001567A425F70, 16 bytes long.
 Data: <(fBzV           > 28 66 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001567A426240, 16 bytes long.
 Data: < fBzV           > 00 66 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001567A424DF0, 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 0x000001567A4261A0, 16 bytes long.
 Data: < &#227;AzV           > 08 E3 41 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001567A41FB80, 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 0x000001567A425A70, 16 bytes long.
 Data: <&#224;&#226;AzV           > E0 E2 41 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001567A425E80, 16 bytes long.
 Data: <&#184;&#226;AzV           > B8 E2 41 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001567A426060, 16 bytes long.
 Data: < &#226;AzV           > 90 E2 41 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001567A426010, 16 bytes long.
 Data: <h&#226;AzV           > 68 E2 41 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001567A425980, 16 bytes long.
 Data: <@&#226;AzV           > 40 E2 41 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001567A4259D0, 16 bytes long.
 Data: < &#226;AzV           > 18 E2 41 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001567A420240, 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 0x000001567A425A20, 16 bytes long.
 Data: <&#240;&#225;AzV           > F0 E1 41 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001567A41E1F0, 320 bytes long.
 Data: < ZBzV   @ BzV   > 20 5A 42 7A 56 01 00 00 40 02 42 7A 56 01 00 00 
{272} normal block at 0x000001567A425F20, 16 bytes long.
 Data: <&#224;eBzV           > E0 65 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001567A425930, 16 bytes long.
 Data: <&#184;eBzV           > B8 65 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001567A41F400, 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 0x000001567A4256B0, 16 bytes long.
 Data: < eBzV           > 90 65 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001567A41F4C0, 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 0x000001567A425750, 16 bytes long.
 Data: <&#216;dBzV           > D8 64 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001567A4253E0, 16 bytes long.
 Data: <&#176;dBzV           > B0 64 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001567A425BB0, 16 bytes long.
 Data: < dBzV           > 88 64 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001567A426100, 16 bytes long.
 Data: <`dBzV           > 60 64 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001567A425B60, 16 bytes long.
 Data: <8dBzV           > 38 64 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001567A425ED0, 16 bytes long.
 Data: < dBzV           > 10 64 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001567A4255C0, 16 bytes long.
 Data: <&#208;NBzV           > D0 4E 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001567A424ED0, 40 bytes long.
 Data: <&#192;UBzV   &#192;R&|V   > C0 55 42 7A 56 01 00 00 C0 52 26 7C 56 01 00 00 
{258} normal block at 0x000001567A425DE0, 16 bytes long.
 Data: <&#240;cBzV           > F0 63 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001567A425E30, 16 bytes long.
 Data: <&#200;cBzV           > C8 63 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001567A420180, 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 0x000001567A425D90, 16 bytes long.
 Data: <&#160;cBzV           > A0 63 42 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001567A4263A0, 992 bytes long.
 Data: < ]BzV     BzV   > 90 5D 42 7A 56 01 00 00 80 01 42 7A 56 01 00 00 
{90} normal block at 0x000001567A41F880, 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 0x000001567A420F50, 16 bytes long.
 Data: <&#176;&#236;@zV           > B0 EC 40 7A 56 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001567A40ECB0, 40 bytes long.
 Data: <P BzV    &#248;AzV   > 50 0F 42 7A 56 01 00 00 80 F8 41 7A 56 01 00 00 
{67} normal block at 0x000001567A420A50, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001567A420CD0, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001567A4204B0, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001567A420960, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001567A420C30, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001567A420870, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001567A4210E0, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001567A420690, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001567A420EB0, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001567A4208C0, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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