Task 38672976

Name test_526-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6658_0
Workunit 31615085
Created 26 Oct 2026, 1:06:31 UTC
Sent 26 Oct 2026, 1:06:36 UTC
Report deadline 31 Oct 2026, 1:06:36 UTC
Received 26 Oct 2026, 2:55:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638123
Run time 32 min 47 sec
CPU time 30 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.89 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:22:40 (28488): wrapper (7.9.26016): starting
22:22:40 (28488): 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
22:22:41 (28488): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:22:41 (28488): 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\2\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\2\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
22:54:49 (28488): C:/Windows/system32/cmd.exe exited; CPU time 1858.171875
22:54:49 (28488): 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: 39900193 bytes.
Dumping objects ->
{3835478} normal block at 0x000001FEA024D960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x000001FEA024CD90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001FEA024DA40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835445} normal block at 0x000001FE9E604C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x000001FE9E604BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835403} normal block at 0x000001FEA02952D0, 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) : {3835390} normal block at 0x000001FE9E6011E0, 8 bytes long.
 Data: <  ]&#158;&#254;   > 00 00 5D 9E FE 01 00 00 
{3833961} normal block at 0x000001FE9E601370, 8 bytes long.
 Data: <`R/&#160;&#254;   > 60 52 2F A0 FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FE9E5F60D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FE9E5F7DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001FE9E6065E0, 16 bytes long.
 Data: <&#216;V`&#158;&#254;           > D8 56 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FE9E605B90, 16 bytes long.
 Data: <&#176;V`&#158;&#254;           > B0 56 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FE9E5FFC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001FE9E606360, 16 bytes long.
 Data: < V`&#158;&#254;           > 88 56 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FE9E6064A0, 16 bytes long.
 Data: <`V`&#158;&#254;           > 60 56 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FE9E606540, 16 bytes long.
 Data: <8V`&#158;&#254;           > 38 56 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FE9E605B40, 16 bytes long.
 Data: < V`&#158;&#254;           > 10 56 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FE9E6047F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001FE9E606680, 16 bytes long.
 Data: < &#185;^&#158;&#254;           > 08 B9 5E 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FE9E600580, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001FE9E605E10, 16 bytes long.
 Data: <&#224;&#184;^&#158;&#254;           > E0 B8 5E 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FE9E605870, 16 bytes long.
 Data: <&#184;&#184;^&#158;&#254;           > B8 B8 5E 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FE9E605DC0, 16 bytes long.
 Data: < &#184;^&#158;&#254;           > 90 B8 5E 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FE9E606630, 16 bytes long.
 Data: <h&#184;^&#158;&#254;           > 68 B8 5E 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FE9E6060E0, 16 bytes long.
 Data: <@&#184;^&#158;&#254;           > 40 B8 5E 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FE9E605AF0, 16 bytes long.
 Data: < &#184;^&#158;&#254;           > 18 B8 5E 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FE9E5FFFE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001FE9E606310, 16 bytes long.
 Data: <&#240;&#183;^&#158;&#254;           > F0 B7 5E 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FE9E5EB7F0, 320 bytes long.
 Data: < c`&#158;&#254;   &#224;&#255;_&#158;&#254;   > 10 63 60 9E FE 01 00 00 E0 FF 5F 9E FE 01 00 00 
{276} normal block at 0x000001FE9E605820, 16 bytes long.
 Data: <&#240;U`&#158;&#254;           > F0 55 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FE9E606770, 16 bytes long.
 Data: <&#200;U`&#158;&#254;           > C8 55 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FE9E5FFDA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001FE9E6061D0, 16 bytes long.
 Data: <&#160;U`&#158;&#254;           > A0 55 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FE9E600520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001FE9E605D20, 16 bytes long.
 Data: <&#232;T`&#158;&#254;           > E8 54 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FE9E606270, 16 bytes long.
 Data: <&#192;T`&#158;&#254;           > C0 54 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FE9E605EB0, 16 bytes long.
 Data: < T`&#158;&#254;           > 98 54 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FE9E6066D0, 16 bytes long.
 Data: <pT`&#158;&#254;           > 70 54 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FE9E606720, 16 bytes long.
 Data: <HT`&#158;&#254;           > 48 54 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FE9E601320, 16 bytes long.
 Data: < T`&#158;&#254;           > 20 54 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FE9E6012D0, 16 bytes long.
 Data: <0M`&#158;&#254;           > 30 4D 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FE9E604D30, 40 bytes long.
 Data: <&#208; `&#158;&#254;   &#208;R)&#160;&#254;   > D0 12 60 9E FE 01 00 00 D0 52 29 A0 FE 01 00 00 
{262} normal block at 0x000001FE9E601050, 16 bytes long.
 Data: < T`&#158;&#254;           > 00 54 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FE9E6008D0, 16 bytes long.
 Data: <&#216;S`&#158;&#254;           > D8 53 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FE9E6007C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001FE9E600F10, 16 bytes long.
 Data: <&#176;S`&#158;&#254;           > B0 53 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FE9E6053B0, 992 bytes long.
 Data: <  `&#158;&#254;   &#192; `&#158;&#254;   > 10 0F 60 9E FE 01 00 00 C0 07 60 9E FE 01 00 00 
{94} normal block at 0x000001FE9E600640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001FE9E6015A0, 16 bytes long.
 Data: < J`&#158;&#254;           > 90 4A 60 9E FE 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001FE9E604A90, 40 bytes long.
 Data: <&#160; `&#158;&#254;   @ `&#158;&#254;   > A0 15 60 9E FE 01 00 00 40 06 60 9E FE 01 00 00 
{71} normal block at 0x000001FE9E601500, 16 bytes long.
 Data: < &#234; ;&#247;           > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FE9E600DD0, 16 bytes long.
 Data: <@&#233; ;&#247;           > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FE9E601140, 16 bytes long.
 Data: <&#248;W&#149;;&#247;           > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FE9E600970, 16 bytes long.
 Data: <&#216;W&#149;;&#247;           > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FE9E601550, 16 bytes long.
 Data: <P &#149;;&#247;           > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FE9E600C40, 16 bytes long.
 Data: <0 &#149;;&#247;           > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FE9E600FB0, 16 bytes long.
 Data: <&#224; &#149;;&#247;           > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FE9E6014B0, 16 bytes long.
 Data: <  &#149;;&#247;           > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FE9E6010F0, 16 bytes long.
 Data: <p &#149;;&#247;           > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FE9E600D80, 16 bytes long.
 Data: < &#192;&#147;;&#247;           > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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