Task 38685977

Name test_406-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8261_0
Workunit 31627429
Created 27 Oct 2026, 23:59:07 UTC
Sent 27 Oct 2026, 23:59:16 UTC
Report deadline 1 Nov 2026, 23:59:16 UTC
Received 28 Oct 2026, 0:17:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 17 min 45 sec
CPU time 17 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.82 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:00:09 (16036): wrapper (7.9.26016): starting
01:00:09 (16036): 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
01:00:10 (16036): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:00:10 (16036): 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\1\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\1\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
01:17:15 (16036): C:/Windows/system32/cmd.exe exited; CPU time 1032.000000
01:17:15 (16036): 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: 16083787 bytes.
Dumping objects ->
{3835251} normal block at 0x00000207E2095D20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000207E2095E70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000207E20969D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x00000207E0356640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000207E0356790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x00000207E20362D0, 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) : {3835163} normal block at 0x00000207E034E510, 8 bytes long.
 Data: <  /&#224;    > 00 00 2F E0 07 02 00 00 
{3833969} normal block at 0x00000207E034E2E0, 8 bytes long.
 Data: < &#234;&#244;&#225;    > 80 EA F4 E1 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000207E0352850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000207E0347510, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000207E0357560, 16 bytes long.
 Data: <&#232;~5&#224;            > E8 7E 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000207E03572E0, 16 bytes long.
 Data: <&#192;~5&#224;            > C0 7E 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000207E0351180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000207E03574C0, 16 bytes long.
 Data: < ~5&#224;            > 98 7E 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000207E0356F20, 16 bytes long.
 Data: <p~5&#224;            > 70 7E 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000207E0356ED0, 16 bytes long.
 Data: <H~5&#224;            > 48 7E 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000207E0356E80, 16 bytes long.
 Data: < ~5&#224;            > 20 7E 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000207E03566B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000207E0357880, 16 bytes long.
 Data: <hi5&#224;            > 68 69 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000207E0350D00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000207E0357790, 16 bytes long.
 Data: <@i5&#224;            > 40 69 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000207E03571F0, 16 bytes long.
 Data: < i5&#224;            > 18 69 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000207E0357B00, 16 bytes long.
 Data: <&#240;h5&#224;            > F0 68 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000207E0356DE0, 16 bytes long.
 Data: <&#200;h5&#224;            > C8 68 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000207E0357920, 16 bytes long.
 Data: <&#160;h5&#224;            > A0 68 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000207E0357510, 16 bytes long.
 Data: <xh5&#224;            > 78 68 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000207E0350940, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000207E0356D90, 16 bytes long.
 Data: <Ph5&#224;            > 50 68 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000207E0356850, 320 bytes long.
 Data: < m5&#224;    @	5&#224;    > 90 6D 35 E0 07 02 00 00 40 09 35 E0 07 02 00 00 
{280} normal block at 0x00000207E0357830, 16 bytes long.
 Data: < ~5&#224;            > 00 7E 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000207E0357470, 16 bytes long.
 Data: <&#216;}5&#224;            > D8 7D 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000207E03509A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000207E0357060, 16 bytes long.
 Data: <&#176;}5&#224;            > B0 7D 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000207E0351000, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000207E03578D0, 16 bytes long.
 Data: <&#248;|5&#224;            > F8 7C 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000207E0356CF0, 16 bytes long.
 Data: <&#208;|5&#224;            > D0 7C 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000207E03577E0, 16 bytes long.
 Data: <&#168;|5&#224;            > A8 7C 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000207E0357420, 16 bytes long.
 Data: < |5&#224;            > 80 7C 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000207E0356C50, 16 bytes long.
 Data: <X|5&#224;            > 58 7C 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000207E0357240, 16 bytes long.
 Data: <0|5&#224;            > 30 7C 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000207E0357970, 16 bytes long.
 Data: < a5&#224;            > 00 61 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000207E0356100, 40 bytes long.
 Data: <py5&#224;    &#208;b &#226;    > 70 79 35 E0 07 02 00 00 D0 62 03 E2 07 02 00 00 
{266} normal block at 0x00000207E03576A0, 16 bytes long.
 Data: < |5&#224;            > 10 7C 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000207E0357150, 16 bytes long.
 Data: <&#232;{5&#224;            > E8 7B 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000207E0350BE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000207E0357290, 16 bytes long.
 Data: <&#192;{5&#224;            > C0 7B 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000207E0357BC0, 992 bytes long.
 Data: < r5&#224;    &#224; 5&#224;    > 90 72 35 E0 07 02 00 00 E0 0B 35 E0 07 02 00 00 
{98} normal block at 0x00000207E0350EE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000207E034E5B0, 16 bytes long.
 Data: < `5&#224;            > 90 60 35 E0 07 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000207E0356090, 40 bytes long.
 Data: <&#176;&#229;4&#224;    &#224; 5&#224;    > B0 E5 34 E0 07 02 00 00 E0 0E 35 E0 07 02 00 00 
{75} normal block at 0x00000207E034E8D0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000207E034E4C0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000207E034EDD0, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000207E034E830, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000207E034ED30, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000207E034EEC0, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000207E034ED80, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000207E034ECE0, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000207E034EBF0, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000207E034E880, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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