Task 38684703

Name test_536-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4289_0
Workunit 31626210
Created 27 Oct 2026, 17:36:37 UTC
Sent 27 Oct 2026, 17:36:39 UTC
Report deadline 1 Nov 2026, 17:36:39 UTC
Received 27 Oct 2026, 19:19:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637325
Run time 1 hours 8 min 26 sec
CPU time 1 hours 3 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 889.44 MB
Peak swap size 2.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:12:54 (1348): wrapper (7.9.26016): starting
20:12:54 (1348): 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
20:12:56 (1348): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:12:56 (1348): 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\4\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\4\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
21:19:37 (1348): C:/Windows/system32/cmd.exe exited; CPU time 3794.281250
21:19:37 (1348): 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: 48068649 bytes.
Dumping objects ->
{3835194} normal block at 0x000001F945EE13A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001F945EE1560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001F945EE0C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000001F945EE0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001F945EE0D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000001F945FAAFA0, 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) : {3835106} normal block at 0x000001F944565E90, 8 bytes long.
 Data: <  MD&#249;   > 00 00 4D 44 F9 01 00 00 
{3833949} normal block at 0x000001F944565DA0, 8 bytes long.
 Data: < &#234;dD&#249;   > 80 EA 64 44 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001F944570C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F944571BC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001F944572A80, 16 bytes long.
 Data: <X1WD&#249;           > 58 31 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F944572260, 16 bytes long.
 Data: <01WD&#249;           > 30 31 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F94456B8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001F944571DB0, 16 bytes long.
 Data: < 1WD&#249;           > 08 31 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F944572490, 16 bytes long.
 Data: <&#224;0WD&#249;           > E0 30 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F9445724E0, 16 bytes long.
 Data: <&#184;0WD&#249;           > B8 30 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F944572850, 16 bytes long.
 Data: < 0WD&#249;           > 90 30 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F94456A420, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001F9445721C0, 16 bytes long.
 Data: <X WD&#249;           > 58 1B 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F94456BB20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001F944572760, 16 bytes long.
 Data: <0 WD&#249;           > 30 1B 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F9445720D0, 16 bytes long.
 Data: <  WD&#249;           > 08 1B 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F944572080, 16 bytes long.
 Data: <&#224; WD&#249;           > E0 1A 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F944572800, 16 bytes long.
 Data: <&#184; WD&#249;           > B8 1A 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F944572030, 16 bytes long.
 Data: <  WD&#249;           > 90 1A 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F944572670, 16 bytes long.
 Data: <h WD&#249;           > 68 1A 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F94456B940, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001F9445727B0, 16 bytes long.
 Data: <@ WD&#249;           > 40 1A 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F944571A40, 320 bytes long.
 Data: <&#176;'WD&#249;   @&#185;VD&#249;   > B0 27 57 44 F9 01 00 00 40 B9 56 44 F9 01 00 00 
{270} normal block at 0x000001F944572440, 16 bytes long.
 Data: <p0WD&#249;           > 70 30 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F9445723A0, 16 bytes long.
 Data: <H0WD&#249;           > 48 30 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F94456BEE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001F9445723F0, 16 bytes long.
 Data: < 0WD&#249;           > 20 30 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F94456BA00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001F9445728F0, 16 bytes long.
 Data: <h/WD&#249;           > 68 2F 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F944572710, 16 bytes long.
 Data: <@/WD&#249;           > 40 2F 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F944572530, 16 bytes long.
 Data: < /WD&#249;           > 18 2F 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F9445722B0, 16 bytes long.
 Data: <&#240;.WD&#249;           > F0 2E 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F944572210, 16 bytes long.
 Data: <&#200;.WD&#249;           > C8 2E 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F9445726C0, 16 bytes long.
 Data: <&#160;.WD&#249;           > A0 2E 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F944572B20, 16 bytes long.
 Data: < &#168;VD&#249;           > 10 A8 56 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F94456A810, 40 bytes long.
 Data: < +WD&#249;   &#160;&#175;&#250;E&#249;   > 20 2B 57 44 F9 01 00 00 A0 AF FA 45 F9 01 00 00 
{256} normal block at 0x000001F9445728A0, 16 bytes long.
 Data: < .WD&#249;           > 80 2E 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F944572350, 16 bytes long.
 Data: <X.WD&#249;           > 58 2E 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F94456BC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001F944571FE0, 16 bytes long.
 Data: <0.WD&#249;           > 30 2E 57 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001F944572E30, 992 bytes long.
 Data: <&#224; WD&#249;   @&#188;VD&#249;   > E0 1F 57 44 F9 01 00 00 40 BC 56 44 F9 01 00 00 
{88} normal block at 0x000001F94456B700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001F9445662F0, 16 bytes long.
 Data: <&#192;&#166;VD&#249;           > C0 A6 56 44 F9 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001F94456A6C0, 40 bytes long.
 Data: <&#240;bVD&#249;    &#183;VD&#249;   > F0 62 56 44 F9 01 00 00 00 B7 56 44 F9 01 00 00 
{65} normal block at 0x000001F9445661B0, 16 bytes long.
 Data: < &#234;&#192;j&#247;           > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F9445658A0, 16 bytes long.
 Data: <@&#233;&#192;j&#247;           > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F944565850, 16 bytes long.
 Data: <&#248;W&#189;j&#247;           > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F9445662A0, 16 bytes long.
 Data: <&#216;W&#189;j&#247;           > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F944566020, 16 bytes long.
 Data: <P &#189;j&#247;           > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F944565800, 16 bytes long.
 Data: <0 &#189;j&#247;           > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F944565FD0, 16 bytes long.
 Data: <&#224; &#189;j&#247;           > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F944565710, 16 bytes long.
 Data: <  &#189;j&#247;           > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F944565D50, 16 bytes long.
 Data: <p &#189;j&#247;           > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F944565670, 16 bytes long.
 Data: < &#192;&#187;j&#247;           > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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