Task 38649648

Name test_543-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND5820_1
Workunit 31593972
Created 23 Oct 2026, 21:47:50 UTC
Sent 23 Oct 2026, 22:19:43 UTC
Report deadline 28 Oct 2026, 22:19:43 UTC
Received 23 Oct 2026, 23:01:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 28 min 18 sec
CPU time 26 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.66 MB
Peak swap size 9.88 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:33:39 (365548): wrapper (7.9.26016): starting
17:33:39 (365548): 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
17:33:40 (365548): Library/usr/bin/tar.exe exited; CPU time 0.078125
17:33:40 (365548): 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\19\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\19\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
18:00:43 (365548): C:/Windows/system32/cmd.exe exited; CPU time 1584.125000
18:00:43 (365548): 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: 35780371 bytes.
Dumping objects ->
{3835248} normal block at 0x00000288E25E3170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000288E25E2F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000288E25E26F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x00000288E25E28B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000288E25E2DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x00000288E253C000, 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) : {3835160} normal block at 0x00000288E07EA9E0, 8 bytes long.
 Data: <  "&#226;    > 00 00 22 E2 88 02 00 00 
{3833959} normal block at 0x00000288E07EA580, 8 bytes long.
 Data: <&#176; ^&#226;    > B0 0F 5E E2 88 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000288E07CB4E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000288E07CC060, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000288E07EAC60, 16 bytes long.
 Data: <Hj~&#224;            > 48 6A 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000288E07EB020, 16 bytes long.
 Data: < j~&#224;            > 20 6A 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000288E07EC380, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000288E07EAFD0, 16 bytes long.
 Data: <&#248;i~&#224;            > F8 69 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000288E07EABC0, 16 bytes long.
 Data: <&#208;i~&#224;            > D0 69 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000288E07EAB70, 16 bytes long.
 Data: <&#168;i~&#224;            > A8 69 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000288E07EA760, 16 bytes long.
 Data: < i~&#224;            > 80 69 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000288E07EE360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000288E07EAB20, 16 bytes long.
 Data: <&#232;&#229;{&#224;            > E8 E5 7B E0 88 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000288E07EC0E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000288E07EB430, 16 bytes long.
 Data: <&#192;&#229;{&#224;            > C0 E5 7B E0 88 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000288E07EADF0, 16 bytes long.
 Data: < &#229;{&#224;            > 98 E5 7B E0 88 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000288E07EA940, 16 bytes long.
 Data: <p&#229;{&#224;            > 70 E5 7B E0 88 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000288E07EB3E0, 16 bytes long.
 Data: <H&#229;{&#224;            > 48 E5 7B E0 88 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000288E07EACB0, 16 bytes long.
 Data: < &#229;{&#224;            > 20 E5 7B E0 88 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000288E07EA8A0, 16 bytes long.
 Data: <&#248;&#228;{&#224;            > F8 E4 7B E0 88 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000288E07EB720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000288E07EADA0, 16 bytes long.
 Data: <&#208;&#228;{&#224;            > D0 E4 7B E0 88 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000288E07BE4D0, 320 bytes long.
 Data: <&#160;&#173;~&#224;     &#183;~&#224;    > A0 AD 7E E0 88 02 00 00 20 B7 7E E0 88 02 00 00 
{275} normal block at 0x00000288E07EB480, 16 bytes long.
 Data: <`i~&#224;            > 60 69 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000288E07EAC10, 16 bytes long.
 Data: <8i~&#224;            > 38 69 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000288E07EBD20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000288E07EB160, 16 bytes long.
 Data: < i~&#224;            > 10 69 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000288E07EBB40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000288E07EB390, 16 bytes long.
 Data: <Xh~&#224;            > 58 68 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000288E07EAD50, 16 bytes long.
 Data: <0h~&#224;            > 30 68 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000288E07EAA30, 16 bytes long.
 Data: < h~&#224;            > 08 68 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000288E07EA990, 16 bytes long.
 Data: <&#224;g~&#224;            > E0 67 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000288E07EB070, 16 bytes long.
 Data: <&#184;g~&#224;            > B8 67 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000288E07EA8F0, 16 bytes long.
 Data: < g~&#224;            > 90 67 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000288E07EA6C0, 16 bytes long.
 Data: < &#226;~&#224;            > 10 E2 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000288E07EE210, 40 bytes long.
 Data: <&#192;&#166;~&#224;     &#192;S&#226;    > C0 A6 7E E0 88 02 00 00 00 C0 53 E2 88 02 00 00 
{261} normal block at 0x00000288E07EA620, 16 bytes long.
 Data: <pg~&#224;            > 70 67 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000288E07EA7B0, 16 bytes long.
 Data: <Hg~&#224;            > 48 67 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000288E07D3200, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000288E07EAE40, 16 bytes long.
 Data: < g~&#224;            > 20 67 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000288E07E6720, 992 bytes long.
 Data: <@&#174;~&#224;     2}&#224;    > 40 AE 7E E0 88 02 00 00 00 32 7D E0 88 02 00 00 
{93} normal block at 0x00000288E07D3320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000288E07D9AD0, 16 bytes long.
 Data: <0&#225;~&#224;            > 30 E1 7E E0 88 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000288E07EE130, 40 bytes long.
 Data: <&#208;&#154;}&#224;     3}&#224;    > D0 9A 7D E0 88 02 00 00 20 33 7D E0 88 02 00 00 
{70} normal block at 0x00000288E07D8EA0, 16 bytes long.
 Data: < &#234;&#255;&#154;&#246;           > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000288E07D9C60, 16 bytes long.
 Data: <@&#233;&#255;&#154;&#246;           > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000288E07D9A80, 16 bytes long.
 Data: <&#248;W&#252;&#154;&#246;           > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000288E07D99E0, 16 bytes long.
 Data: <&#216;W&#252;&#154;&#246;           > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000288E07D9850, 16 bytes long.
 Data: <P &#252;&#154;&#246;           > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000288E07D9800, 16 bytes long.
 Data: <0 &#252;&#154;&#246;           > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000288E07D8E50, 16 bytes long.
 Data: <&#224; &#252;&#154;&#246;           > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000288E07D8DB0, 16 bytes long.
 Data: <  &#252;&#154;&#246;           > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000288E07D98F0, 16 bytes long.
 Data: <p &#252;&#154;&#246;           > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000288E07D97B0, 16 bytes long.
 Data: < &#192;&#250;&#154;&#246;           > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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