Task 38678791

Name test_874-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1327_0
Workunit 31620596
Created 26 Oct 2026, 18:30:29 UTC
Sent 26 Oct 2026, 18:30:36 UTC
Report deadline 31 Oct 2026, 18:30:36 UTC
Received 26 Oct 2026, 20:10:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604231
Run time 27 min 43 sec
CPU time 27 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.75 MB
Peak swap size 13.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:38:49 (32128): wrapper (7.9.26016): starting
14:38:49 (32128): 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
14:38:50 (32128): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:38:50 (32128): 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 'M:\BOINC\slots\17\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 'M:\BOINC\slots\17\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
15:07:01 (32128): C:/Windows/system32/cmd.exe exited; CPU time 1663.828125
15:07:01 (32128): 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: 31539913 bytes.
Dumping objects ->
{3835626} normal block at 0x00000193782665B0, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835615} normal block at 0x0000019379F16E80, 32 bytes long.
 Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835604} normal block at 0x0000019379F17F60, 32 bytes long.
 Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835593} normal block at 0x0000019379F177E0, 32 bytes long.
 Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835582} normal block at 0x0000019379F170C0, 32 bytes long.
 Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C 
{3835551} normal block at 0x0000019378266770, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835540} normal block at 0x000001937825C8B0, 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) : {3835537} normal block at 0x000001937825F8B0, 8 bytes long.
 Data: <   x&#147;   > 00 00 1F 78 93 01 00 00 
{3834737} normal block at 0x000001937825DBD0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001937825EC30, 8 bytes long.
 Data: <&#240;N&#242;y&#147;   > F0 4E F2 79 93 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000193782625F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019378257850, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000193782677B0, 16 bytes long.
 Data: <(}&x&#147;           > 28 7D 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019378267760, 16 bytes long.
 Data: < }&x&#147;           > 00 7D 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019378260D80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000019378267990, 16 bytes long.
 Data: <&#216;|&x&#147;           > D8 7C 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019378266C20, 16 bytes long.
 Data: <&#176;|&x&#147;           > B0 7C 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019378267710, 16 bytes long.
 Data: < |&x&#147;           > 88 7C 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019378266FE0, 16 bytes long.
 Data: <`|&x&#147;           > 60 7C 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019378266310, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000019378266B30, 16 bytes long.
 Data: <&#200; %x&#147;           > C8 13 25 78 93 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019378261020, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000019378267530, 16 bytes long.
 Data: <&#160; %x&#147;           > A0 13 25 78 93 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019378267120, 16 bytes long.
 Data: <x %x&#147;           > 78 13 25 78 93 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019378267940, 16 bytes long.
 Data: <P %x&#147;           > 50 13 25 78 93 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000193782678F0, 16 bytes long.
 Data: <( %x&#147;           > 28 13 25 78 93 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019378266EA0, 16 bytes long.
 Data: <  %x&#147;           > 00 13 25 78 93 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019378266CC0, 16 bytes long.
 Data: <&#216; %x&#147;           > D8 12 25 78 93 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019378260900, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000019378266BD0, 16 bytes long.
 Data: <&#176; %x&#147;           > B0 12 25 78 93 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000193782512B0, 320 bytes long.
 Data: <&#208;k&x&#147;    	&x&#147;   > D0 6B 26 78 93 01 00 00 00 09 26 78 93 01 00 00 
{277} normal block at 0x00000193782674E0, 16 bytes long.
 Data: <@|&x&#147;           > 40 7C 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019378266E50, 16 bytes long.
 Data: < |&x&#147;           > 18 7C 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000193782603C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000019378266C70, 16 bytes long.
 Data: <&#240;{&x&#147;           > F0 7B 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019378260B40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000019378266E00, 16 bytes long.
 Data: <8{&x&#147;           > 38 7B 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019378266B80, 16 bytes long.
 Data: < {&x&#147;           > 10 7B 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000193782675D0, 16 bytes long.
 Data: <&#232;z&x&#147;           > E8 7A 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019378267670, 16 bytes long.
 Data: <&#192;z&x&#147;           > C0 7A 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000193782676C0, 16 bytes long.
 Data: < z&x&#147;           > 98 7A 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019378267490, 16 bytes long.
 Data: <pz&x&#147;           > 70 7A 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019378267440, 16 bytes long.
 Data: < f&x&#147;           > 90 66 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019378266690, 40 bytes long.
 Data: <@t&x&#147;   pg&x&#147;   > 40 74 26 78 93 01 00 00 70 67 26 78 93 01 00 00 
{263} normal block at 0x0000019378267350, 16 bytes long.
 Data: <Pz&x&#147;           > 50 7A 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000193782673F0, 16 bytes long.
 Data: <(z&x&#147;           > 28 7A 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019378260480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000019378267620, 16 bytes long.
 Data: < z&x&#147;           > 00 7A 26 78 93 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019378267A00, 992 bytes long.
 Data: < v&x&#147;     &x&#147;   > 20 76 26 78 93 01 00 00 80 04 26 78 93 01 00 00 
{95} normal block at 0x00000193782604E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001937825F860, 16 bytes long.
 Data: <&#160; %x&#147;           > A0 0F 25 78 93 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000019378250FA0, 40 bytes long.
 Data: <`&#248;%x&#147;   &#224; &x&#147;   > 60 F8 25 78 93 01 00 00 E0 04 26 78 93 01 00 00 
{72} normal block at 0x000001937825F6D0, 16 bytes long.
 Data: < &#234;&#215;Z&#247;           > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001937825EF50, 16 bytes long.
 Data: <@&#233;&#215;Z&#247;           > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001937825EE10, 16 bytes long.
 Data: <&#248;W&#212;Z&#247;           > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001937825F720, 16 bytes long.
 Data: <&#216;W&#212;Z&#247;           > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001937825ECD0, 16 bytes long.
 Data: <P &#212;Z&#247;           > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001937825F090, 16 bytes long.
 Data: <0 &#212;Z&#247;           > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001937825EA50, 16 bytes long.
 Data: <&#224; &#212;Z&#247;           > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001937825E960, 16 bytes long.
 Data: <  &#212;Z&#247;           > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001937825F4F0, 16 bytes long.
 Data: <p &#212;Z&#247;           > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001937825F130, 16 bytes long.
 Data: < &#192;&#210;Z&#247;           > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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