Task 38667536

Name test_1453-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0099_1
Workunit 31602984
Created 25 Oct 2026, 8:24:22 UTC
Sent 25 Oct 2026, 8:24:49 UTC
Report deadline 30 Oct 2026, 8:24:49 UTC
Received 25 Oct 2026, 10:34:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653922
Run time 1 hours 7 min 48 sec
CPU time 1 hours 2 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 642.41 MB
Peak swap size 2.27 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:27:50 (3868): wrapper (7.9.26016): starting
11:27:50 (3868): 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
11:27:54 (3868): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:27:54 (3868): 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\data\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\data\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
12:33:36 (3868): C:/Windows/system32/cmd.exe exited; CPU time 3734.640625
12:33:36 (3868): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 39354785 bytes.
Dumping objects ->
{3835414} normal block at 0x0000017DCB82AC10, 48 bytes long.
 Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835403} normal block at 0x0000017DCB7D6230, 32 bytes long.
 Data: <HOME=D:\boinc\da> 48 4F 4D 45 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835392} normal block at 0x0000017DCB7D6950, 32 bytes long.
 Data: <TMP=D:\boinc\dat> 54 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 74 
{3835381} normal block at 0x0000017DCB7D6830, 32 bytes long.
 Data: <TEMP=D:\boinc\da> 54 45 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835370} normal block at 0x0000017DCB7D5330, 32 bytes long.
 Data: <TMPDIR=D:\boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 62 6F 69 6E 63 5C 
{3835339} normal block at 0x0000017DCB82A4A0, 48 bytes long.
 Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
..\api\boinc_api.cpp(309) : {3835326} normal block at 0x0000017DC9B6B4B0, 8 bytes long.
 Data: <  &#175;&#201;}   > 00 00 AF C9 7D 01 00 00 
{3833945} normal block at 0x0000017DC9B6B460, 8 bytes long.
 Data: <&#224;&#170;}&#203;}   > E0 AA 7D CB 7D 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000017DC9B73B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017DC9B74C00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000017DC9B752F0, 16 bytes long.
 Data: <&#232;_&#183;&#201;}           > E8 5F B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017DC9B75BB0, 16 bytes long.
 Data: <&#192;_&#183;&#201;}           > C0 5F B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017DC9B70110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000017DC9B75610, 16 bytes long.
 Data: < _&#183;&#201;}           > 98 5F B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017DC9B75B10, 16 bytes long.
 Data: <p_&#183;&#201;}           > 70 5F B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017DC9B754D0, 16 bytes long.
 Data: <H_&#183;&#201;}           > 48 5F B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017DC9B75840, 16 bytes long.
 Data: < _&#183;&#201;}           > 20 5F B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017DC9B6EF30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000017DC9B752A0, 16 bytes long.
 Data: < K&#183;&#201;}           > 98 4B B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017DC9B70E30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000017DC9B75AC0, 16 bytes long.
 Data: <pK&#183;&#201;}           > 70 4B B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017DC9B74F80, 16 bytes long.
 Data: <HK&#183;&#201;}           > 48 4B B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017DC9B74F30, 16 bytes long.
 Data: < K&#183;&#201;}           > 20 4B B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017DC9B75A20, 16 bytes long.
 Data: <&#248;J&#183;&#201;}           > F8 4A B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017DC9B75250, 16 bytes long.
 Data: <&#208;J&#183;&#201;}           > D0 4A B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017DC9B759D0, 16 bytes long.
 Data: <&#168;J&#183;&#201;}           > A8 4A B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017DC9B70EF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000017DC9B75570, 16 bytes long.
 Data: < J&#183;&#201;}           > 80 4A B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017DC9B74A80, 320 bytes long.
 Data: <pU&#183;&#201;}   &#240; &#183;&#201;}   > 70 55 B7 C9 7D 01 00 00 F0 0E B7 C9 7D 01 00 00 
{268} normal block at 0x0000017DC9B75930, 16 bytes long.
 Data: < _&#183;&#201;}           > 00 5F B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017DC9B75480, 16 bytes long.
 Data: <&#216;^&#183;&#201;}           > D8 5E B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017DC9B70CB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000017DC9B74FD0, 16 bytes long.
 Data: <&#176;^&#183;&#201;}           > B0 5E B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017DC9B70470, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000017DC9B75A70, 16 bytes long.
 Data: <&#248;]&#183;&#201;}           > F8 5D B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017DC9B75980, 16 bytes long.
 Data: <&#208;]&#183;&#201;}           > D0 5D B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017DC9B755C0, 16 bytes long.
 Data: <&#168;]&#183;&#201;}           > A8 5D B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017DC9B750C0, 16 bytes long.
 Data: < ]&#183;&#201;}           > 80 5D B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017DC9B74D00, 16 bytes long.
 Data: <X]&#183;&#201;}           > 58 5D B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017DC9B756B0, 16 bytes long.
 Data: <0]&#183;&#201;}           > 30 5D B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017DC9B75B60, 16 bytes long.
 Data: < &#243;&#182;&#201;}           > 20 F3 B6 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017DC9B6F320, 40 bytes long.
 Data: <`[&#183;&#201;}   &#160;&#164;&#130;&#203;}   > 60 5B B7 C9 7D 01 00 00 A0 A4 82 CB 7D 01 00 00 
{254} normal block at 0x0000017DC9B75160, 16 bytes long.
 Data: < ]&#183;&#201;}           > 10 5D B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000017DC9B75070, 16 bytes long.
 Data: <&#232;\&#183;&#201;}           > E8 5C B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017DC9B70410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000017DC9B74E90, 16 bytes long.
 Data: <&#192;\&#183;&#201;}           > C0 5C B7 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000017DC9B75CC0, 992 bytes long.
 Data: < N&#183;&#201;}     &#183;&#201;}   > 90 4E B7 C9 7D 01 00 00 10 04 B7 C9 7D 01 00 00 
{86} normal block at 0x0000017DC9B702F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000017DC9B6B1E0, 16 bytes long.
 Data: <`&#241;&#182;&#201;}           > 60 F1 B6 C9 7D 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000017DC9B6F160, 40 bytes long.
 Data: <&#224;&#177;&#182;&#201;}   &#240; &#183;&#201;}   > E0 B1 B6 C9 7D 01 00 00 F0 02 B7 C9 7D 01 00 00 
{63} normal block at 0x0000017DC9B6BA00, 16 bytes long.
 Data: < &#234;&#181;&#252;&#246;           > 80 EA B5 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017DC9B6B0A0, 16 bytes long.
 Data: <@&#233;&#181;&#252;&#246;           > 40 E9 B5 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017DC9B6B780, 16 bytes long.
 Data: <&#248;W&#178;&#252;&#246;           > F8 57 B2 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017DC9B6B550, 16 bytes long.
 Data: <&#216;W&#178;&#252;&#246;           > D8 57 B2 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017DC9B6B910, 16 bytes long.
 Data: <P &#178;&#252;&#246;           > 50 04 B2 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017DC9B6AD80, 16 bytes long.
 Data: <0 &#178;&#252;&#246;           > 30 04 B2 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017DC9B6B050, 16 bytes long.
 Data: <&#224; &#178;&#252;&#246;           > E0 02 B2 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017DC9B6AD30, 16 bytes long.
 Data: <  &#178;&#252;&#246;           > 10 04 B2 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000017DC9B6AFB0, 16 bytes long.
 Data: <p &#178;&#252;&#246;           > 70 04 B2 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000017DC9B6AF10, 16 bytes long.
 Data: < &#192;&#176;&#252;&#246;           > 18 C0 B0 FC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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