Task 38686753

Name test_744-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0042_0
Workunit 31628172
Created 28 Oct 2026, 4:12:22 UTC
Sent 28 Oct 2026, 4:12:26 UTC
Report deadline 2 Nov 2026, 4:12:26 UTC
Received 28 Oct 2026, 5:08:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 35 min 22 sec
CPU time 33 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.61 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:24:27 (29472): wrapper (7.9.26016): starting
00:24:27 (29472): 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
00:24:28 (29472): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:24:28 (29472): 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\7\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\7\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
00:58:33 (29472): C:/Windows/system32/cmd.exe exited; CPU time 2025.109375
00:58:33 (29472): 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: 34683181 bytes.
Dumping objects ->
{3835185} normal block at 0x000002076DE54B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x000002076DE54AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000002076DE54ED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x000002076DE54A70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x000002076DE548B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x000002076FB86A40, 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) : {3835097} normal block at 0x000002076DE50DC0, 8 bytes long.
 Data: <  1n    > 00 00 31 6E 07 02 00 00 
{3833953} normal block at 0x000002076DE50D70, 8 bytes long.
 Data: <&#208;&#168;&#231;m    > D0 A8 E7 6D 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002076DE4E7B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002076DE452F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002076DE55AC0, 16 bytes long.
 Data: <&#200;f&#229;m            > C8 66 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002076DE55430, 16 bytes long.
 Data: <&#160;f&#229;m            > A0 66 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002076DE50240, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002076DE55E80, 16 bytes long.
 Data: <xf&#229;m            > 78 66 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002076DE561A0, 16 bytes long.
 Data: <Pf&#229;m            > 50 66 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002076DE55A70, 16 bytes long.
 Data: <(f&#229;m            > 28 66 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002076DE55A20, 16 bytes long.
 Data: < f&#229;m            > 00 66 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002076DE54DF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002076DE559D0, 16 bytes long.
 Data: < &#227;&#228;m            > 08 E3 E4 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002076DE4FC40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002076DE55520, 16 bytes long.
 Data: <&#224;&#226;&#228;m            > E0 E2 E4 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002076DE56060, 16 bytes long.
 Data: <&#184;&#226;&#228;m            > B8 E2 E4 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002076DE555C0, 16 bytes long.
 Data: < &#226;&#228;m            > 90 E2 E4 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002076DE55980, 16 bytes long.
 Data: <h&#226;&#228;m            > 68 E2 E4 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002076DE55F20, 16 bytes long.
 Data: <@&#226;&#228;m            > 40 E2 E4 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002076DE55930, 16 bytes long.
 Data: < &#226;&#228;m            > 18 E2 E4 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002076DE4F760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002076DE556B0, 16 bytes long.
 Data: <&#240;&#225;&#228;m            > F0 E1 E4 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002076DE4E1F0, 320 bytes long.
 Data: <&#176;V&#229;m    `&#247;&#228;m    > B0 56 E5 6D 07 02 00 00 60 F7 E4 6D 07 02 00 00 
{272} normal block at 0x000002076DE554D0, 16 bytes long.
 Data: <&#224;e&#229;m            > E0 65 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002076DE56150, 16 bytes long.
 Data: <&#184;e&#229;m            > B8 65 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002076DE502A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002076DE55660, 16 bytes long.
 Data: < e&#229;m            > 90 65 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002076DE50000, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002076DE55700, 16 bytes long.
 Data: <&#216;d&#229;m            > D8 64 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002076DE55890, 16 bytes long.
 Data: <&#176;d&#229;m            > B0 64 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002076DE55840, 16 bytes long.
 Data: < d&#229;m            > 88 64 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002076DE55480, 16 bytes long.
 Data: <`d&#229;m            > 60 64 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002076DE557F0, 16 bytes long.
 Data: <8d&#229;m            > 38 64 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002076DE557A0, 16 bytes long.
 Data: < d&#229;m            > 10 64 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002076DE56290, 16 bytes long.
 Data: <0L&#229;m            > 30 4C E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002076DE54C30, 40 bytes long.
 Data: < b&#229;m    @j&#184;o    > 90 62 E5 6D 07 02 00 00 40 6A B8 6F 07 02 00 00 
{258} normal block at 0x000002076DE55BB0, 16 bytes long.
 Data: <&#240;c&#229;m            > F0 63 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002076DE55E30, 16 bytes long.
 Data: <&#200;c&#229;m            > C8 63 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002076DE4F400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002076DE55D40, 16 bytes long.
 Data: <&#160;c&#229;m            > A0 63 E5 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002076DE563A0, 992 bytes long.
 Data: <@]&#229;m     &#244;&#228;m    > 40 5D E5 6D 07 02 00 00 00 F4 E4 6D 07 02 00 00 
{90} normal block at 0x000002076DE4FF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002076DE50410, 16 bytes long.
 Data: < &#238;&#227;m            > 10 EE E3 6D 07 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002076DE3EE10, 40 bytes long.
 Data: <  &#229;m    @&#255;&#228;m    > 10 04 E5 6D 07 02 00 00 40 FF E4 6D 07 02 00 00 
{67} normal block at 0x000002076DE50F00, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002076DE50D20, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002076DE50640, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002076DE51040, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002076DE50B40, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002076DE51310, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002076DE50EB0, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002076DE51180, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002076DE50BE0, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002076DE50E60, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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