Task 38684892

Name test_332-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND3019_0
Workunit 31626391
Created 27 Oct 2026, 18:26:16 UTC
Sent 27 Oct 2026, 18:26:20 UTC
Report deadline 1 Nov 2026, 18:26:20 UTC
Received 27 Oct 2026, 20:00:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 58 min 12 sec
CPU time 49 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 666.45 MB
Peak swap size 2.25 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:59:19 (12980): wrapper (7.9.26016): starting
21:59:19 (12980): 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
21:59:23 (12980): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:59:23 (12980): 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 'D:\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 'D:\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
22:56:01 (12980): C:/Windows/system32/cmd.exe exited; CPU time 2958.718750
22:56:01 (12980): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 53213541 bytes.
Dumping objects ->
{3835529} normal block at 0x000002093F372AC0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x0000020940E25A20, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x0000020940E26740, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x0000020940E26080, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x0000020940E26980, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x000002093F3729E0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x000002093F368D50, 200 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) : {3835440} normal block at 0x000002093F367950, 8 bytes long.
 Data: <  0?	   > 00 00 30 3F 09 02 00 00 
{3834685} normal block at 0x000002093F3696E0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000002093F366EB0, 8 bytes long.
 Data: <P&#169;5?	   > 50 A9 35 3F 09 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000002093F373030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002093F373F70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000002093F3740C0, 16 bytes long.
 Data: < U7?	           > 08 55 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002093F374610, 16 bytes long.
 Data: <&#224;T7?	           > E0 54 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002093F36C700, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000002093F374F70, 16 bytes long.
 Data: <&#184;T7?	           > B8 54 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002093F374E80, 16 bytes long.
 Data: <&#144;T7?	           > 90 54 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002093F3749D0, 16 bytes long.
 Data: <hT7?	           > 68 54 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002093F374C50, 16 bytes long.
 Data: <@T7?	           > 40 54 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002093F372C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000002093F3748E0, 16 bytes long.
 Data: < ?7?	           > 08 3F 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002093F36C040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000002093F374C00, 16 bytes long.
 Data: <&#224;>7?	           > E0 3E 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002093F374250, 16 bytes long.
 Data: <&#184;>7?	           > B8 3E 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002093F374E30, 16 bytes long.
 Data: <&#144;>7?	           > 90 3E 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002093F374430, 16 bytes long.
 Data: <h>7?	           > 68 3E 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002093F374DE0, 16 bytes long.
 Data: <@>7?	           > 40 3E 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002093F374480, 16 bytes long.
 Data: < >7?	           > 18 3E 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002093F36B920, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000002093F374070, 16 bytes long.
 Data: <&#240;=7?	           > F0 3D 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002093F373DF0, 320 bytes long.
 Data: <p@7?	     6?	   > 70 40 37 3F 09 02 00 00 20 B9 36 3F 09 02 00 00 
{267} normal block at 0x000002093F374F20, 16 bytes long.
 Data: < T7?	           > 20 54 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002093F374200, 16 bytes long.
 Data: <&#248;S7?	           > F8 53 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002093F36BF80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000002093F374750, 16 bytes long.
 Data: <&#208;S7?	           > D0 53 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002093F36C640, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000002093F374CA0, 16 bytes long.
 Data: < S7?	           > 18 53 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002093F374D90, 16 bytes long.
 Data: <&#240;R7?	           > F0 52 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002093F374980, 16 bytes long.
 Data: <&#200;R7?	           > C8 52 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002093F374D40, 16 bytes long.
 Data: <&#160;R7?	           > A0 52 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002093F374ED0, 16 bytes long.
 Data: <xR7?	           > 78 52 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002093F3745C0, 16 bytes long.
 Data: <PR7?	           > 50 52 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002093F3747F0, 16 bytes long.
 Data: <&#176;'7?	           > B0 27 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002093F3727B0, 40 bytes long.
 Data: <&#240;G7?	   &#224;)7?	   > F0 47 37 3F 09 02 00 00 E0 29 37 3F 09 02 00 00 
{253} normal block at 0x000002093F374B60, 16 bytes long.
 Data: <0R7?	           > 30 52 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002093F374930, 16 bytes long.
 Data: < R7?	           > 08 52 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002093F36C460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000002093F374BB0, 16 bytes long.
 Data: <&#224;Q7?	           > E0 51 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002093F3751E0, 992 bytes long.
 Data: <&#176;K7?	   `&#196;6?	   > B0 4B 37 3F 09 02 00 00 60 C4 36 3F 09 02 00 00 
{85} normal block at 0x000002093F36C400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000002093F366E60, 16 bytes long.
 Data: <&#240;%7?	           > F0 25 37 3F 09 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002093F3725F0, 40 bytes long.
 Data: <`n6?	    &#196;6?	   > 60 6E 36 3F 09 02 00 00 00 C4 36 3F 09 02 00 00 
{62} normal block at 0x000002093F367590, 16 bytes long.
 Data: <&#128;&#234;&#241;&#226;&#246;           > 80 EA F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002093F367400, 16 bytes long.
 Data: <@&#233;&#241;&#226;&#246;           > 40 E9 F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002093F366D20, 16 bytes long.
 Data: <&#248;W&#238;&#226;&#246;           > F8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002093F3678B0, 16 bytes long.
 Data: <&#216;W&#238;&#226;&#246;           > D8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002093F366FF0, 16 bytes long.
 Data: <P &#238;&#226;&#246;           > 50 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002093F367860, 16 bytes long.
 Data: <0 &#238;&#226;&#246;           > 30 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002093F366F50, 16 bytes long.
 Data: <&#224; &#238;&#226;&#246;           > E0 02 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002093F366BE0, 16 bytes long.
 Data: <  &#238;&#226;&#246;           > 10 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002093F366B40, 16 bytes long.
 Data: <p &#238;&#226;&#246;           > 70 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002093F367A40, 16 bytes long.
 Data: < &#192;&#236;&#226;&#246;           > 18 C0 EC E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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