Task 38660882

Name test_564-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND8186_0
Workunit 31604347
Created 24 Oct 2026, 14:52:44 UTC
Sent 24 Oct 2026, 14:57:09 UTC
Report deadline 29 Oct 2026, 14:57:09 UTC
Received 24 Oct 2026, 16:30:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654805
Run time 21 min 45 sec
CPU time 19 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,717.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 658.79 MB
Peak swap size 3.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:06:48 (10600): wrapper (7.9.26016): starting
23:06:48 (10600): 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
23:07:01 (10600): Library/usr/bin/tar.exe exited; CPU time 0.031250
23:07:01 (10600): 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\0\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\0\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
23:27:53 (10600): C:/Windows/system32/cmd.exe exited; CPU time 1186.687500
23:27:53 (10600): 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: 23231355 bytes.
Dumping objects ->
{3835168} normal block at 0x0000026206157BB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x0000026204634DB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x0000026204634E90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835135} normal block at 0x0000026204634CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835124} normal block at 0x0000026204634E20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835093} normal block at 0x0000026206169130, 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) : {3835080} normal block at 0x000002620462EEF0, 8 bytes long.
 Data: <  &#179; b   > 00 00 B3 04 62 02 00 00 
{3833939} normal block at 0x000002620462EB80, 8 bytes long.
 Data: <&#176;&#228;  b   > B0 E4 05 06 62 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000002620462FB90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026204625360, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x0000026204635810, 16 bytes long.
 Data: < Uc b           > 88 55 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026204635D60, 16 bytes long.
 Data: <`Uc b           > 60 55 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000262046316F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x0000026204636620, 16 bytes long.
 Data: <8Uc b           > 38 55 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026204635950, 16 bytes long.
 Data: < Uc b           > 10 55 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026204635C20, 16 bytes long.
 Data: <&#232;Tc b           > E8 54 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000262046362B0, 16 bytes long.
 Data: <&#192;Tc b           > C0 54 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026204634C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x0000026204635B80, 16 bytes long.
 Data: < &#180;a b           > 08 B4 61 04 62 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026204631690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x0000026204636530, 16 bytes long.
 Data: <&#224;&#179;a b           > E0 B3 61 04 62 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026204636260, 16 bytes long.
 Data: <&#184;&#179;a b           > B8 B3 61 04 62 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026204635EA0, 16 bytes long.
 Data: <&#144;&#179;a b           > 90 B3 61 04 62 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026204636440, 16 bytes long.
 Data: <h&#179;a b           > 68 B3 61 04 62 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026204635E50, 16 bytes long.
 Data: <@&#179;a b           > 40 B3 61 04 62 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026204635A90, 16 bytes long.
 Data: < &#179;a b           > 18 B3 61 04 62 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000262046313F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x0000026204635900, 16 bytes long.
 Data: <&#240;&#178;a b           > F0 B2 61 04 62 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002620461B2F0, 320 bytes long.
 Data: < Yc b   &#240; c b   > 00 59 63 04 62 02 00 00 F0 13 63 04 62 02 00 00 
{265} normal block at 0x00000262046363F0, 16 bytes long.
 Data: <&#160;Tc b           > A0 54 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000262046360D0, 16 bytes long.
 Data: <xTc b           > 78 54 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026204631330, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x00000262046365D0, 16 bytes long.
 Data: <PTc b           > 50 54 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000262046319F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x0000026204636490, 16 bytes long.
 Data: < Sc b           > 98 53 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026204635860, 16 bytes long.
 Data: <pSc b           > 70 53 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026204635C70, 16 bytes long.
 Data: <HSc b           > 48 53 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026204635E00, 16 bytes long.
 Data: < Sc b           > 20 53 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002620462ED60, 16 bytes long.
 Data: <&#248;Rc b           > F8 52 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002620462ED10, 16 bytes long.
 Data: <&#208;Rc b           > D0 52 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002620462EC70, 16 bytes long.
 Data: <&#240;Kc b           > F0 4B 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000026204634BF0, 40 bytes long.
 Data: <p&#236;b b   0&#145;  b   > 70 EC 62 04 62 02 00 00 30 91 16 06 62 02 00 00 
{251} normal block at 0x000002620462E900, 16 bytes long.
 Data: <&#176;Rc b           > B0 52 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002620462E360, 16 bytes long.
 Data: < Rc b           > 88 52 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000026204631270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000002620462EE00, 16 bytes long.
 Data: <`Rc b           > 60 52 63 04 62 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x0000026204635260, 992 bytes long.
 Data: < &#238;b b   p c b   > 00 EE 62 04 62 02 00 00 70 12 63 04 62 02 00 00 
{83} normal block at 0x0000026204631C30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000002620462EF40, 16 bytes long.
 Data: <@&#237;a b           > 40 ED 61 04 62 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002620461ED40, 40 bytes long.
 Data: <@&#239;b b   0 c b   > 40 EF 62 04 62 02 00 00 30 1C 63 04 62 02 00 00 
{60} normal block at 0x000002620462EB30, 16 bytes long.
 Data: <&#128;&#234;&#198; &#247;           > 80 EA C6 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002620462E6D0, 16 bytes long.
 Data: <@&#233;&#198; &#247;           > 40 E9 C6 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002620462F120, 16 bytes long.
 Data: <&#248;W&#195; &#247;           > F8 57 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002620462EA40, 16 bytes long.
 Data: <&#216;W&#195; &#247;           > D8 57 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002620462EE50, 16 bytes long.
 Data: <P &#195; &#247;           > 50 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002620462EAE0, 16 bytes long.
 Data: <0 &#195; &#247;           > 30 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002620462F030, 16 bytes long.
 Data: <&#224; &#195; &#247;           > E0 02 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002620462E9F0, 16 bytes long.
 Data: <  &#195; &#247;           > 10 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002620462E680, 16 bytes long.
 Data: <p &#195; &#247;           > 70 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000002620462E400, 16 bytes long.
 Data: < &#192;&#193; &#247;           > 18 C0 C1 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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