Task 38681651

Name test_573-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0050_0
Workunit 31623311
Created 27 Oct 2026, 4:47:40 UTC
Sent 27 Oct 2026, 4:47:46 UTC
Report deadline 1 Nov 2026, 4:47:46 UTC
Received 27 Oct 2026, 6:12:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609617
Run time 56 min 52 sec
CPU time 56 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,564.25 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.44 MB
Peak swap size 9.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:07:56 (5600): wrapper (7.9.26016): starting
07:07:56 (5600): 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
07:08:01 (5600): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:08:02 (5600): 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\24\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\24\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
08:13:37 (5600): C:/Windows/system32/cmd.exe exited; CPU time 3405.250000
08:13:37 (5600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 28590389 bytes.
Dumping objects ->
{3835245} normal block at 0x0000020BE77907D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000020BE77914F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000020BE7791020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000020BE77912C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000020BE7790FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000020BE7882A90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000020BE78E10A0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835155} normal block at 0x0000020BE5C662B0, 8 bytes long.
 Data: <  &#195;&#229;    > 00 00 C3 E5 0B 02 00 00 
{3834548} normal block at 0x0000020BE78E1190, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000020BE5C66260, 8 bytes long.
 Data: <p&&#145;&#231;    > 70 26 91 E7 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000020BE5C6FCF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020BE5C55A10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000020BE5C71AF0, 16 bytes long.
 Data: <83&#199;&#229;            > 38 33 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020BE5C71A00, 16 bytes long.
 Data: < 3&#199;&#229;            > 10 33 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020BE5C6CAC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000020BE5C719B0, 16 bytes long.
 Data: <&#232;2&#199;&#229;            > E8 32 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020BE5C70C90, 16 bytes long.
 Data: <&#192;2&#199;&#229;            > C0 32 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020BE5C718C0, 16 bytes long.
 Data: < 2&#199;&#229;            > 98 32 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020BE5C71410, 16 bytes long.
 Data: <p2&#199;&#229;            > 70 32 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020BE5C6B150, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000020BE5C71870, 16 bytes long.
 Data: <&#232;&#192;&#198;&#229;            > E8 C0 C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020BE5C6C8E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000020BE5C71370, 16 bytes long.
 Data: <&#192;&#192;&#198;&#229;            > C0 C0 C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020BE5C71820, 16 bytes long.
 Data: < &#192;&#198;&#229;            > 98 C0 C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020BE5C717D0, 16 bytes long.
 Data: <p&#192;&#198;&#229;            > 70 C0 C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020BE5C71640, 16 bytes long.
 Data: <H&#192;&#198;&#229;            > 48 C0 C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020BE5C70C40, 16 bytes long.
 Data: < &#192;&#198;&#229;            > 20 C0 C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020BE5C71960, 16 bytes long.
 Data: <&#248;&#191;&#198;&#229;            > F8 BF C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020BE5C6C7C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000020BE5C71780, 16 bytes long.
 Data: <&#208;&#191;&#198;&#229;            > D0 BF C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020BE5C6BFD0, 320 bytes long.
 Data: <&#128; &#199;&#229;    &#192;&#199;&#198;&#229;    > 80 17 C7 E5 0B 02 00 00 C0 C7 C6 E5 0B 02 00 00 
{268} normal block at 0x0000020BE5C71B90, 16 bytes long.
 Data: <P2&#199;&#229;            > 50 32 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020BE5C71140, 16 bytes long.
 Data: <(2&#199;&#229;            > 28 32 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020BE5C6CF40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000020BE5C715A0, 16 bytes long.
 Data: < 2&#199;&#229;            > 00 32 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020BE5C6CB20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000020BE5C71320, 16 bytes long.
 Data: <H1&#199;&#229;            > 48 31 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020BE5C715F0, 16 bytes long.
 Data: < 1&#199;&#229;            > 20 31 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020BE5C710F0, 16 bytes long.
 Data: <&#248;0&#199;&#229;            > F8 30 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020BE5C70EC0, 16 bytes long.
 Data: <&#208;0&#199;&#229;            > D0 30 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020BE5C71280, 16 bytes long.
 Data: <&#168;0&#199;&#229;            > A8 30 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020BE5C711E0, 16 bytes long.
 Data: <&#128;0&#199;&#229;            > 80 30 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020BE5C710A0, 16 bytes long.
 Data: < &#175;&#198;&#229;            > 20 AF C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020BE5C6AF20, 40 bytes long.
 Data: <&#160; &#199;&#229;    &#144;* &#231;    > A0 10 C7 E5 0B 02 00 00 90 2A 88 E7 0B 02 00 00 
{254} normal block at 0x0000020BE5C71500, 16 bytes long.
 Data: <`0&#199;&#229;            > 60 30 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020BE5C714B0, 16 bytes long.
 Data: <80&#199;&#229;            > 38 30 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020BE5C6C880, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000020BE5C71AA0, 16 bytes long.
 Data: < 0&#199;&#229;            > 10 30 C7 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020BE5C73010, 992 bytes long.
 Data: <&#160; &#199;&#229;    &#128;&#200;&#198;&#229;    > A0 1A C7 E5 0B 02 00 00 80 C8 C6 E5 0B 02 00 00 
{86} normal block at 0x0000020BE5C6CB80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000020BE5C669E0, 16 bytes long.
 Data: <&#176;&#174;&#198;&#229;            > B0 AE C6 E5 0B 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020BE5C6AEB0, 40 bytes long.
 Data: <&#224;i&#198;&#229;    &#128;&#203;&#198;&#229;    > E0 69 C6 E5 0B 02 00 00 80 CB C6 E5 0B 02 00 00 
{63} normal block at 0x0000020BE5C66120, 16 bytes long.
 Data: <&#128;&#234; v&#246;           > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020BE5C668A0, 16 bytes long.
 Data: <@&#233; v&#246;           > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020BE5C66670, 16 bytes long.
 Data: <&#248;W v&#246;           > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020BE5C66AD0, 16 bytes long.
 Data: <&#216;W v&#246;           > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020BE5C66850, 16 bytes long.
 Data: <P  v&#246;           > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020BE5C66800, 16 bytes long.
 Data: <0  v&#246;           > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020BE5C661C0, 16 bytes long.
 Data: <&#224;  v&#246;           > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020BE5C664E0, 16 bytes long.
 Data: <   v&#246;           > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020BE5C66BC0, 16 bytes long.
 Data: <p  v&#246;           > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020BE5C66A80, 16 bytes long.
 Data: < &#192; v&#246;           > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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