Task 38688795

Name test_263-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND3083_0
Workunit 31630110
Created 28 Oct 2026, 16:12:25 UTC
Sent 28 Oct 2026, 16:12:30 UTC
Report deadline 2 Nov 2026, 16:12:30 UTC
Received 28 Oct 2026, 17:30:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644191
Run time 39 min 2 sec
CPU time 34 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,717.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 685.18 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:51:57 (18148): wrapper (7.9.26016): starting
17:51:57 (18148): 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
17:51:58 (18148): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:51:58 (18148): 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\5\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\5\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
18:29:59 (18148): C:/Windows/system32/cmd.exe exited; CPU time 2097.953125
18:29:59 (18148): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 33708757 bytes.
Dumping objects ->
{3835287} normal block at 0x000001CDDECF4700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000001CDDECF4540, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001CDDECF4620, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835254} normal block at 0x000001CDDECF44D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000001CDDECF4460, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835212} normal block at 0x000001CDE09C6870, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001CDDEDCED80, 235 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) : {3835198} normal block at 0x000001CDDECEDDB0, 8 bytes long.
 Data: <  r&#224;&#205;   > 00 00 72 E0 CD 01 00 00 
{3834575} normal block at 0x000001CDDEDCEEB0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001CDDECEE080, 8 bytes long.
 Data: <PJ&#151;&#224;&#205;   > 50 4A 97 E0 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001CDDECE0C30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CDDECDF040, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001CDDECF5540, 16 bytes long.
 Data: < a&#207;&#222;&#205;           > 98 61 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CDDECF51D0, 16 bytes long.
 Data: <pa&#207;&#222;&#205;           > 70 61 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CDDECF0280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001CDDECF5770, 16 bytes long.
 Data: <Ha&#207;&#222;&#205;           > 48 61 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CDDECF5BD0, 16 bytes long.
 Data: < a&#207;&#222;&#205;           > 20 61 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CDDECF4FA0, 16 bytes long.
 Data: <&#248;`&#207;&#222;&#205;           > F8 60 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CDDECF5270, 16 bytes long.
 Data: <&#208;`&#207;&#222;&#205;           > D0 60 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CDDECF45B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001CDDECF5450, 16 bytes long.
 Data: <&#168; &#206;&#222;&#205;           > A8 0F CE DE CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CDDECEF860, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001CDDECF5310, 16 bytes long.
 Data: <  &#206;&#222;&#205;           > 80 0F CE DE CD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CDDECF5720, 16 bytes long.
 Data: <X &#206;&#222;&#205;           > 58 0F CE DE CD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CDDECF58B0, 16 bytes long.
 Data: <0 &#206;&#222;&#205;           > 30 0F CE DE CD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CDDECF4FF0, 16 bytes long.
 Data: <  &#206;&#222;&#205;           > 08 0F CE DE CD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CDDECF5400, 16 bytes long.
 Data: <&#224; &#206;&#222;&#205;           > E0 0E CE DE CD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CDDECF4F50, 16 bytes long.
 Data: <&#184; &#206;&#222;&#205;           > B8 0E CE DE CD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CDDECF0160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001CDDECF5680, 16 bytes long.
 Data: <  &#206;&#222;&#205;           > 90 0E CE DE CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CDDECE0E90, 320 bytes long.
 Data: < V&#207;&#222;&#205;   ` &#207;&#222;&#205;   > 80 56 CF DE CD 01 00 00 60 01 CF DE CD 01 00 00 
{269} normal block at 0x000001CDDECF5AE0, 16 bytes long.
 Data: <&#176;`&#207;&#222;&#205;           > B0 60 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CDDECF5D60, 16 bytes long.
 Data: < `&#207;&#222;&#205;           > 88 60 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CDDECEF740, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001CDDECF52C0, 16 bytes long.
 Data: <``&#207;&#222;&#205;           > 60 60 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CDDECEFD40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001CDDECF5810, 16 bytes long.
 Data: <&#168;_&#207;&#222;&#205;           > A8 5F CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CDDECF5360, 16 bytes long.
 Data: < _&#207;&#222;&#205;           > 80 5F CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CDDECF50E0, 16 bytes long.
 Data: <X_&#207;&#222;&#205;           > 58 5F CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CDDECF54F0, 16 bytes long.
 Data: <0_&#207;&#222;&#205;           > 30 5F CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CDDECF5180, 16 bytes long.
 Data: < _&#207;&#222;&#205;           > 08 5F CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CDDECF5950, 16 bytes long.
 Data: <&#224;^&#207;&#222;&#205;           > E0 5E CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CDDECF5DB0, 16 bytes long.
 Data: <&#240;C&#207;&#222;&#205;           > F0 43 CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CDDECF43F0, 40 bytes long.
 Data: <&#176;]&#207;&#222;&#205;   ph&#156;&#224;&#205;   > B0 5D CF DE CD 01 00 00 70 68 9C E0 CD 01 00 00 
{255} normal block at 0x000001CDDECF5040, 16 bytes long.
 Data: <&#192;^&#207;&#222;&#205;           > C0 5E CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001CDDECF5B30, 16 bytes long.
 Data: < ^&#207;&#222;&#205;           > 98 5E CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CDDECEFF80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001CDDECF5130, 16 bytes long.
 Data: <p^&#207;&#222;&#205;           > 70 5E CF DE CD 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001CDDECF5E70, 992 bytes long.
 Data: <0Q&#207;&#222;&#205;    &#255;&#206;&#222;&#205;   > 30 51 CF DE CD 01 00 00 80 FF CE DE CD 01 00 00 
{87} normal block at 0x000001CDDECEF920, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001CDDECEE030, 16 bytes long.
 Data: <P&#242;&#206;&#222;&#205;           > 50 F2 CE DE CD 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001CDDECEF250, 40 bytes long.
 Data: <0&#224;&#206;&#222;&#205;    &#249;&#206;&#222;&#205;   > 30 E0 CE DE CD 01 00 00 20 F9 CE DE CD 01 00 00 
{64} normal block at 0x000001CDDECEE350, 16 bytes long.
 Data: < &#234;&#202;&#215;&#246;           > 80 EA CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CDDECEDF40, 16 bytes long.
 Data: <@&#233;&#202;&#215;&#246;           > 40 E9 CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CDDECEDD60, 16 bytes long.
 Data: <&#248;W&#199;&#215;&#246;           > F8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CDDECEDEA0, 16 bytes long.
 Data: <&#216;W&#199;&#215;&#246;           > D8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CDDECEDE50, 16 bytes long.
 Data: <P &#199;&#215;&#246;           > 50 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CDDECEDB30, 16 bytes long.
 Data: <0 &#199;&#215;&#246;           > 30 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CDDECEDE00, 16 bytes long.
 Data: <&#224; &#199;&#215;&#246;           > E0 02 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CDDECEE3F0, 16 bytes long.
 Data: <  &#199;&#215;&#246;           > 10 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001CDDECEDFE0, 16 bytes long.
 Data: <p &#199;&#215;&#246;           > 70 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001CDDECEDF90, 16 bytes long.
 Data: < &#192;&#197;&#215;&#246;           > 18 C0 C5 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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