Task 38647809

Name test_687-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND9561_0
Workunit 31592532
Created 23 Oct 2026, 20:21:30 UTC
Sent 23 Oct 2026, 20:54:35 UTC
Report deadline 28 Oct 2026, 20:54:35 UTC
Received 23 Oct 2026, 21:32:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 37 min 8 sec
CPU time 32 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.54 MB
Peak swap size 9.92 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:56:06 (15664): wrapper (7.9.26016): starting
17:56:06 (15664): 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
17:56:07 (15664): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:56:07 (15664): 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
18:31:57 (15664): C:/Windows/system32/cmd.exe exited; CPU time 1925.968750
18:31:57 (15664): 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: 37557967 bytes.
Dumping objects ->
{3835223} normal block at 0x00000253B9D91020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000253B9D90A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x00000253B9D907D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x00000253B9D90990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x00000253B9D90D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x00000253B9E3C100, 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) : {3835135} normal block at 0x00000253B808C5B0, 8 bytes long.
 Data: <  e&#184;S   > 00 00 65 B8 53 02 00 00 
{3833977} normal block at 0x00000253B808CCE0, 8 bytes long.
 Data: < &#232;&#217;&#185;S   > 80 E8 D9 B9 53 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000253B808E2C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000253B8086DC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x00000253B80945F0, 16 bytes long.
 Data: <&#168;U	&#184;S           > A8 55 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000253B8094190, 16 bytes long.
 Data: < U	&#184;S           > 80 55 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000253B808F240, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x00000253B8094730, 16 bytes long.
 Data: <XU	&#184;S           > 58 55 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000253B8094D70, 16 bytes long.
 Data: <0U	&#184;S           > 30 55 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000253B8094690, 16 bytes long.
 Data: < U	&#184;S           > 08 55 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000253B8094A00, 16 bytes long.
 Data: <&#224;T	&#184;S           > E0 54 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000253B808F6F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x00000253B8094A50, 16 bytes long.
 Data: <&#168;&#252; &#184;S           > A8 FC 07 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000253B808EAC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x00000253B80940F0, 16 bytes long.
 Data: < &#252; &#184;S           > 80 FC 07 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000253B80945A0, 16 bytes long.
 Data: <X&#252; &#184;S           > 58 FC 07 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000253B8094B40, 16 bytes long.
 Data: <0&#252; &#184;S           > 30 FC 07 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000253B8094320, 16 bytes long.
 Data: < &#252; &#184;S           > 08 FC 07 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000253B8094500, 16 bytes long.
 Data: <&#224;&#251; &#184;S           > E0 FB 07 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000253B8094550, 16 bytes long.
 Data: <&#184;&#251; &#184;S           > B8 FB 07 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000253B808F180, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x00000253B80946E0, 16 bytes long.
 Data: < &#251; &#184;S           > 90 FB 07 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000253B807FB90, 320 bytes long.
 Data: <&#224;F	&#184;S    &#241; &#184;S   > E0 46 09 B8 53 02 00 00 80 F1 08 B8 53 02 00 00 
{284} normal block at 0x00000253B8094910, 16 bytes long.
 Data: <&#192;T	&#184;S           > C0 54 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000253B8093FB0, 16 bytes long.
 Data: < T	&#184;S           > 98 54 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000253B808EA00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x00000253B80949B0, 16 bytes long.
 Data: <pT	&#184;S           > 70 54 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000253B808F120, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x00000253B8093EC0, 16 bytes long.
 Data: <&#184;S	&#184;S           > B8 53 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000253B8094280, 16 bytes long.
 Data: < S	&#184;S           > 90 53 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000253B8094460, 16 bytes long.
 Data: <hS	&#184;S           > 68 53 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000253B8094AF0, 16 bytes long.
 Data: <@S	&#184;S           > 40 53 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000253B80940A0, 16 bytes long.
 Data: < S	&#184;S           > 18 53 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000253B8094000, 16 bytes long.
 Data: <&#240;R	&#184;S           > F0 52 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000253B8094870, 16 bytes long.
 Data: <P&#251; &#184;S           > 50 FB 08 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000253B808FB50, 40 bytes long.
 Data: <pH	&#184;S    &#193;&#227;&#185;S   > 70 48 09 B8 53 02 00 00 00 C1 E3 B9 53 02 00 00 
{270} normal block at 0x00000253B8094CD0, 16 bytes long.
 Data: <&#208;R	&#184;S           > D0 52 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000253B8094370, 16 bytes long.
 Data: <&#168;R	&#184;S           > A8 52 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000253B808E760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x00000253B8094780, 16 bytes long.
 Data: < R	&#184;S           > 80 52 09 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000253B8095280, 992 bytes long.
 Data: < G	&#184;S   `&#231; &#184;S   > 80 47 09 B8 53 02 00 00 60 E7 08 B8 53 02 00 00 
{102} normal block at 0x00000253B808E580, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x00000253B808C650, 16 bytes long.
 Data: <`&#247; &#184;S           > 60 F7 08 B8 53 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000253B808F760, 40 bytes long.
 Data: <P&#198; &#184;S    &#229; &#184;S   > 50 C6 08 B8 53 02 00 00 80 E5 08 B8 53 02 00 00 
{79} normal block at 0x00000253B808C1A0, 16 bytes long.
 Data: < &#234;+&#146;&#246;           > 80 EA 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000253B808C8D0, 16 bytes long.
 Data: <@&#233;+&#146;&#246;           > 40 E9 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000253B808C0B0, 16 bytes long.
 Data: <&#248;W(&#146;&#246;           > F8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000253B808CBF0, 16 bytes long.
 Data: <&#216;W(&#146;&#246;           > D8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000253B808C150, 16 bytes long.
 Data: <P (&#146;&#246;           > 50 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000253B808C010, 16 bytes long.
 Data: <0 (&#146;&#246;           > 30 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000253B808CAB0, 16 bytes long.
 Data: <&#224; (&#146;&#246;           > E0 02 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000253B808C470, 16 bytes long.
 Data: <  (&#146;&#246;           > 10 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000253B808C100, 16 bytes long.
 Data: <p (&#146;&#246;           > 70 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000253B808C600, 16 bytes long.
 Data: < &#192;&&#146;&#246;           > 18 C0 26 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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