Task 38647041

Name test_700-GPUGRID_TEST_ATM_1000_20261023-0-1-RND0350_1
Workunit 31591537
Created 23 Oct 2026, 18:13:39 UTC
Sent 23 Oct 2026, 18:27:16 UTC
Report deadline 28 Oct 2026, 18:27:16 UTC
Received 23 Oct 2026, 18:48:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 20 min 9 sec
CPU time 17 min 55 sec
Validate state Valid
Credit 1,000.00
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 716.18 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>
15:28:21 (35684): wrapper (7.9.26016): starting
15:28:21 (35684): 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
15:28:22 (35684): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:28:22 (35684): 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
15:47:54 (35684): C:/Windows/system32/cmd.exe exited; CPU time 1075.656250
15:47:54 (35684): 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: 21897417 bytes.
Dumping objects ->
{3835223} normal block at 0x0000020856D615D0, 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 0x0000020856D61330, 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 0x0000020856D61410, 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 0x0000020856D61100, 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 0x0000020856D61020, 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 0x0000020856E0CD00, 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 0x0000020854FCDDC0, 8 bytes long.
 Data: <  PU    > 00 00 50 55 08 02 00 00 
{3833977} normal block at 0x0000020854FCDFF0, 8 bytes long.
 Data: < M U    > 20 4D 00 55 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000020854FCEE50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000020854FC8450, 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 0x0000020854FD6560, 16 bytes long.
 Data: <(k&#253;T            > 28 6B FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000020854FD5840, 16 bytes long.
 Data: < k&#253;T            > 00 6B FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000020854FD00D0, 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 0x0000020854FD5CA0, 16 bytes long.
 Data: <&#216;j&#253;T            > D8 6A FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020854FD6150, 16 bytes long.
 Data: <&#176;j&#253;T            > B0 6A FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020854FD5C50, 16 bytes long.
 Data: < j&#253;T            > 88 6A FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020854FD5F70, 16 bytes long.
 Data: <`j&#253;T            > 60 6A FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020854FD1220, 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 0x0000020854FD63D0, 16 bytes long.
 Data: <x &#252;T            > 78 14 FC 54 08 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020854FD0550, 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 0x0000020854FD5A70, 16 bytes long.
 Data: <P &#252;T            > 50 14 FC 54 08 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020854FD5BB0, 16 bytes long.
 Data: <( &#252;T            > 28 14 FC 54 08 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020854FD5DE0, 16 bytes long.
 Data: <  &#252;T            > 00 14 FC 54 08 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020854FD5930, 16 bytes long.
 Data: <&#216; &#252;T            > D8 13 FC 54 08 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020854FD5E30, 16 bytes long.
 Data: <&#176; &#252;T            > B0 13 FC 54 08 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020854FD5C00, 16 bytes long.
 Data: <  &#252;T            > 88 13 FC 54 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020854FCFEF0, 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 0x0000020854FD5B60, 16 bytes long.
 Data: <` &#252;T            > 60 13 FC 54 08 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020854FC1360, 320 bytes long.
 Data: <`[&#253;T    &#240;&#254;&#252;T    > 60 5B FD 54 08 02 00 00 F0 FE FC 54 08 02 00 00 
{284} normal block at 0x0000020854FD60B0, 16 bytes long.
 Data: <@j&#253;T            > 40 6A FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020854FD58E0, 16 bytes long.
 Data: < j&#253;T            > 18 6A FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020854FCFD70, 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 0x0000020854FD6470, 16 bytes long.
 Data: <&#240;i&#253;T            > F0 69 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020854FD03D0, 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 0x0000020854FD61A0, 16 bytes long.
 Data: <8i&#253;T            > 38 69 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020854FD5E80, 16 bytes long.
 Data: < i&#253;T            > 10 69 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020854FD6010, 16 bytes long.
 Data: <&#232;h&#253;T            > E8 68 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020854FD6240, 16 bytes long.
 Data: <&#192;h&#253;T            > C0 68 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020854FD64C0, 16 bytes long.
 Data: < h&#253;T            > 98 68 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020854FD5FC0, 16 bytes long.
 Data: <ph&#253;T            > 70 68 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020854FD6100, 16 bytes long.
 Data: <@ &#253;T            > 40 11 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020854FD1140, 40 bytes long.
 Data: < a&#253;T     &#205;&#224;V    > 00 61 FD 54 08 02 00 00 00 CD E0 56 08 02 00 00 
{270} normal block at 0x0000020854FD6060, 16 bytes long.
 Data: <Ph&#253;T            > 50 68 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020854FD5D40, 16 bytes long.
 Data: <(h&#253;T            > 28 68 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020854FD0910, 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 0x0000020854FD5A20, 16 bytes long.
 Data: < h&#253;T            > 00 68 FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020854FD6800, 992 bytes long.
 Data: < Z&#253;T     	&#253;T    > 20 5A FD 54 08 02 00 00 10 09 FD 54 08 02 00 00 
{102} normal block at 0x0000020854FCFCB0, 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 0x0000020854FCDAF0, 16 bytes long.
 Data: <P &#253;T            > 50 0D FD 54 08 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000020854FD0D50, 40 bytes long.
 Data: <&#240;&#218;&#252;T    &#176;&#252;&#252;T    > F0 DA FC 54 08 02 00 00 B0 FC FC 54 08 02 00 00 
{79} normal block at 0x0000020854FCDF00, 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 0x0000020854FCDAA0, 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 0x0000020854FCE040, 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 0x0000020854FCE4A0, 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 0x0000020854FCE4F0, 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 0x0000020854FCD820, 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 0x0000020854FCE450, 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 0x0000020854FCDB90, 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 0x0000020854FCDF50, 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 0x0000020854FCDD70, 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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