Task 38680241

Name test_16-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND9582_0
Workunit 31621971
Created 26 Oct 2026, 23:17:06 UTC
Sent 26 Oct 2026, 23:17:14 UTC
Report deadline 31 Oct 2026, 23:17:14 UTC
Received 26 Oct 2026, 23:45:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 21 min 33 sec
CPU time 21 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.94 MB
Peak swap size 6.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:20:51 (18624): wrapper (7.9.26016): starting
19:20:51 (18624): 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
19:20:52 (18624): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:20:52 (18624): 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\0\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\0\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
19:43:37 (18624): C:/Windows/system32/cmd.exe exited; CPU time 1293.171875
19:43:37 (18624): 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: 26506755 bytes.
Dumping objects ->
{3835256} normal block at 0x000001DEDB3C03A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001DEDB3C0410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001DEDB3C0B10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x000001DEDB3C0E90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001DEDB3C0AA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x000001DEDB3B7F10, 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) : {3835168} normal block at 0x000001DEDB3BDAF0, 8 bytes long.
 Data: <  &#217;&#220;&#222;   > 00 00 D9 DC DE 01 00 00 
{3833967} normal block at 0x000001DEDB3BDAA0, 8 bytes long.
 Data: < &#233;E&#219;&#222;   > 80 E9 45 DB DE 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001DEDB38DBB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001DEDB377210, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001DEDB3C4460, 16 bytes long.
 Data: <&#216;S<&#219;&#222;           > D8 53 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001DEDB3C4B40, 16 bytes long.
 Data: <&#176;S<&#219;&#222;           > B0 53 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DEDB38F0E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001DEDB3C45F0, 16 bytes long.
 Data: < S<&#219;&#222;           > 88 53 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DEDB3C4730, 16 bytes long.
 Data: <`S<&#219;&#222;           > 60 53 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DEDB3C4F50, 16 bytes long.
 Data: <8S<&#219;&#222;           > 38 53 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DEDB3C43C0, 16 bytes long.
 Data: < S<&#219;&#222;           > 10 53 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DEDB3C0CD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001DEDB3C4140, 16 bytes long.
 Data: < &#139;;&#219;&#222;           > 98 8B 3B DB DE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DEDB38EE40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001DEDB3C4FA0, 16 bytes long.
 Data: <p&#139;;&#219;&#222;           > 70 8B 3B DB DE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DEDB3C4FF0, 16 bytes long.
 Data: <H&#139;;&#219;&#222;           > 48 8B 3B DB DE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DEDB3C4AA0, 16 bytes long.
 Data: < &#139;;&#219;&#222;           > 20 8B 3B DB DE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DEDB3C4320, 16 bytes long.
 Data: <&#248;&#138;;&#219;&#222;           > F8 8A 3B DB DE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DEDB3C4C30, 16 bytes long.
 Data: <&#208;&#138;;&#219;&#222;           > D0 8A 3B DB DE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DEDB3C4C80, 16 bytes long.
 Data: <&#168;&#138;;&#219;&#222;           > A8 8A 3B DB DE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DEDB38EC00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001DEDB3C4640, 16 bytes long.
 Data: < &#138;;&#219;&#222;           > 80 8A 3B DB DE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DEDB3B8A80, 320 bytes long.
 Data: <@F<&#219;&#222;    &#236;8&#219;&#222;   > 40 46 3C DB DE 01 00 00 00 EC 38 DB DE 01 00 00 
{279} normal block at 0x000001DEDB3C46E0, 16 bytes long.
 Data: <&#240;R<&#219;&#222;           > F0 52 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DEDB3C4230, 16 bytes long.
 Data: <&#200;R<&#219;&#222;           > C8 52 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DEDB38F500, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001DEDB3C4960, 16 bytes long.
 Data: <&#160;R<&#219;&#222;           > A0 52 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DEDB38F140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001DEDB3C4D70, 16 bytes long.
 Data: <&#232;Q<&#219;&#222;           > E8 51 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DEDB3C4B90, 16 bytes long.
 Data: <&#192;Q<&#219;&#222;           > C0 51 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DEDB3C4E60, 16 bytes long.
 Data: < Q<&#219;&#222;           > 98 51 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DEDB3C45A0, 16 bytes long.
 Data: <pQ<&#219;&#222;           > 70 51 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DEDB3C4370, 16 bytes long.
 Data: <HQ<&#219;&#222;           > 48 51 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DEDB3C4E10, 16 bytes long.
 Data: < Q<&#219;&#222;           > 20 51 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DEDB3C48C0, 16 bytes long.
 Data: <P	<&#219;&#222;           > 50 09 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DEDB3C0950, 40 bytes long.
 Data: <&#192;H<&#219;&#222;     ;&#219;&#222;   > C0 48 3C DB DE 01 00 00 10 7F 3B DB DE 01 00 00 
{265} normal block at 0x000001DEDB3C4410, 16 bytes long.
 Data: < Q<&#219;&#222;           > 00 51 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DEDB3C4910, 16 bytes long.
 Data: <&#216;P<&#219;&#222;           > D8 50 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DEDB38F440, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001DEDB3C40F0, 16 bytes long.
 Data: <&#176;P<&#219;&#222;           > B0 50 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DEDB3C50B0, 992 bytes long.
 Data: <&#240;@<&#219;&#222;   @&#244;8&#219;&#222;   > F0 40 3C DB DE 01 00 00 40 F4 38 DB DE 01 00 00 
{97} normal block at 0x000001DEDB38EF00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001DEDB3BDFF0, 16 bytes long.
 Data: <  <&#219;&#222;           > 20 0E 3C DB DE 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001DEDB3C0E20, 40 bytes long.
 Data: <&#240;&#223;;&#219;&#222;    &#239;8&#219;&#222;   > F0 DF 3B DB DE 01 00 00 00 EF 38 DB DE 01 00 00 
{74} normal block at 0x000001DEDB3BDEB0, 16 bytes long.
 Data: < &#234;&#167;U&#247;           > 80 EA A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001DEDB3BE810, 16 bytes long.
 Data: <@&#233;&#167;U&#247;           > 40 E9 A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001DEDB3BDC30, 16 bytes long.
 Data: <&#248;W&#164;U&#247;           > F8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001DEDB3BDA50, 16 bytes long.
 Data: <&#216;W&#164;U&#247;           > D8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DEDB3BE590, 16 bytes long.
 Data: <P &#164;U&#247;           > 50 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DEDB3BDFA0, 16 bytes long.
 Data: <0 &#164;U&#247;           > 30 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DEDB3BDA00, 16 bytes long.
 Data: <&#224; &#164;U&#247;           > E0 02 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DEDB3BD9B0, 16 bytes long.
 Data: <  &#164;U&#247;           > 10 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DEDB3BE630, 16 bytes long.
 Data: <p &#164;U&#247;           > 70 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DEDB3BE220, 16 bytes long.
 Data: < &#192;&#162;U&#247;           > 18 C0 A2 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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