Task 38667538

Name test_1476-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND9209_1
Workunit 31605180
Created 25 Oct 2026, 8:24:22 UTC
Sent 25 Oct 2026, 8:24:51 UTC
Report deadline 30 Oct 2026, 8:24:51 UTC
Received 25 Oct 2026, 12:37:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602698
Run time 41 min 39 sec
CPU time 39 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,952.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 685.53 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:57:05 (9124): wrapper (7.9.26016): starting
12:57:05 (9124): 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
12:57:07 (9124): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:57:07 (9124): 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\8\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\8\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
13:37:08 (9124): C:/Windows/system32/cmd.exe exited; CPU time 2385.750000
13:37:08 (9124): called boinc_finish(0)
0 bytes in 0 Free Blocks.
458 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: 31991763 bytes.
Dumping objects ->
{3835229} normal block at 0x00000293987F0DF0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835218} normal block at 0x0000029398933DD0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835207} normal block at 0x0000029398933E30, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835196} normal block at 0x00000293989345B0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835185} normal block at 0x00000293989348B0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835154} normal block at 0x00000293987F0C30, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835143} normal block at 0x0000029398984D90, 141 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) : {3835140} normal block at 0x0000029396D765D0, 8 bytes long.
 Data: <  n &#147;   > 00 00 6E 98 93 02 00 00 
{3834534} normal block at 0x0000029398984160, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000029396D75BD0, 8 bytes long.
 Data: < Q&#130; &#147;   > 00 51 82 98 93 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000029396D814F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029396D65BB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000029396D82C60, 16 bytes long.
 Data: <&#232;5&#216;&#150;&#147;           > E8 35 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029396D82B70, 16 bytes long.
 Data: <&#192;5&#216;&#150;&#147;           > C0 35 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029396D7C560, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000029396D82A80, 16 bytes long.
 Data: < 5&#216;&#150;&#147;           > 98 35 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029396D829E0, 16 bytes long.
 Data: <p5&#216;&#150;&#147;           > 70 35 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029396D82B20, 16 bytes long.
 Data: <H5&#216;&#150;&#147;           > 48 35 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029396D82F30, 16 bytes long.
 Data: < 5&#216;&#150;&#147;           > 20 35 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029396D7AB90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000029396D82940, 16 bytes long.
 Data: <H[&#214;&#150;&#147;           > 48 5B D6 96 93 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029396D7C9E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000029396D828A0, 16 bytes long.
 Data: < [&#214;&#150;&#147;           > 20 5B D6 96 93 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029396D827B0, 16 bytes long.
 Data: <&#248;Z&#214;&#150;&#147;           > F8 5A D6 96 93 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029396D82850, 16 bytes long.
 Data: <&#208;Z&#214;&#150;&#147;           > D0 5A D6 96 93 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029396D830C0, 16 bytes long.
 Data: <&#168;Z&#214;&#150;&#147;           > A8 5A D6 96 93 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029396D83110, 16 bytes long.
 Data: < Z&#214;&#150;&#147;           > 80 5A D6 96 93 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029396D828F0, 16 bytes long.
 Data: <XZ&#214;&#150;&#147;           > 58 5A D6 96 93 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029396D7BFC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000029396D82A30, 16 bytes long.
 Data: <0Z&#214;&#150;&#147;           > 30 5A D6 96 93 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029396D65A30, 320 bytes long.
 Data: <0*&#216;&#150;&#147;   &#192;&#191;&#215;&#150;&#147;   > 30 2A D8 96 93 02 00 00 C0 BF D7 96 93 02 00 00 
{266} normal block at 0x0000029396D82DA0, 16 bytes long.
 Data: < 5&#216;&#150;&#147;           > 00 35 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029396D82760, 16 bytes long.
 Data: <&#216;4&#216;&#150;&#147;           > D8 34 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029396D7C080, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000029396D82BC0, 16 bytes long.
 Data: <&#176;4&#216;&#150;&#147;           > B0 34 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029396D7C860, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000029396D82990, 16 bytes long.
 Data: <&#248;3&#216;&#150;&#147;           > F8 33 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029396D82710, 16 bytes long.
 Data: <&#208;3&#216;&#150;&#147;           > D0 33 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029396D824E0, 16 bytes long.
 Data: <&#168;3&#216;&#150;&#147;           > A8 33 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029396D825D0, 16 bytes long.
 Data: < 3&#216;&#150;&#147;           > 80 33 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029396D826C0, 16 bytes long.
 Data: <X3&#216;&#150;&#147;           > 58 33 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029396D82490, 16 bytes long.
 Data: <03&#216;&#150;&#147;           > 30 33 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000029396D823F0, 16 bytes long.
 Data: <&#176;&#170;&#215;&#150;&#147;           > B0 AA D7 96 93 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000029396D7AAB0, 40 bytes long.
 Data: <&#240;#&#216;&#150;&#147;   0   &#147;   > F0 23 D8 96 93 02 00 00 30 0C 7F 98 93 02 00 00 
{252} normal block at 0x0000029396D82800, 16 bytes long.
 Data: < 3&#216;&#150;&#147;           > 10 33 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000029396D82670, 16 bytes long.
 Data: <&#232;2&#216;&#150;&#147;           > E8 32 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000029396D7C320, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000029396D83020, 16 bytes long.
 Data: <&#192;2&#216;&#150;&#147;           > C0 32 D8 96 93 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000029396D832C0, 992 bytes long.
 Data: < 0&#216;&#150;&#147;    &#195;&#215;&#150;&#147;   > 20 30 D8 96 93 02 00 00 20 C3 D7 96 93 02 00 00 
{84} normal block at 0x0000029396D7C260, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000029396D76490, 16 bytes long.
 Data: <&#160;&#174;&#215;&#150;&#147;           > A0 AE D7 96 93 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000029396D7AEA0, 40 bytes long.
 Data: < d&#215;&#150;&#147;   `&#194;&#215;&#150;&#147;   > 90 64 D7 96 93 02 00 00 60 C2 D7 96 93 02 00 00 
{61} normal block at 0x0000029396D76A80, 16 bytes long.
 Data: < &#234;q8&#247;           > 80 EA 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029396D768A0, 16 bytes long.
 Data: <@&#233;q8&#247;           > 40 E9 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029396D764E0, 16 bytes long.
 Data: <&#248;Wn8&#247;           > F8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000029396D763F0, 16 bytes long.
 Data: <&#216;Wn8&#247;           > D8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000029396D76670, 16 bytes long.
 Data: <P n8&#247;           > 50 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000029396D766C0, 16 bytes long.
 Data: <0 n8&#247;           > 30 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000029396D76850, 16 bytes long.
 Data: <&#224; n8&#247;           > E0 02 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000029396D75EF0, 16 bytes long.
 Data: <  n8&#247;           > 10 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000029396D75E50, 16 bytes long.
 Data: <p n8&#247;           > 70 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000029396D75D10, 16 bytes long.
 Data: < &#192;l8&#247;           > 18 C0 6C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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