Task 38677609

Name test_533-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND0638_0
Workunit 31619475
Created 26 Oct 2026, 14:50:45 UTC
Sent 26 Oct 2026, 14:50:51 UTC
Report deadline 31 Oct 2026, 14:50:51 UTC
Received 26 Oct 2026, 15:24:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 18 min 57 sec
CPU time 15 min 59 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 721.41 MB
Peak swap size 8.62 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:05:47 (20732): wrapper (7.9.26016): starting
16:05:47 (20732): 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
16:05:50 (20732): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:05:50 (20732): 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
16:24:00 (20732): C:/Windows/system32/cmd.exe exited; CPU time 959.515625
16:24:00 (20732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23999621 bytes.
Dumping objects ->
{3835219} normal block at 0x0000018FD936DBD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000018FD936DB60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000018FD936D9A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000018FD936DC40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000018FD76C5240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000018FD93B87B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000018FD93CF0E0, 102 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) : {3835130} normal block at 0x0000018FD76BD700, 8 bytes long.
 Data: <  &#195;&#215;    > 00 00 C3 D7 8F 01 00 00 
{3834536} normal block at 0x0000018FD93CECC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000018FD76BE330, 8 bytes long.
 Data: < &#229;y&#215;    > 10 E5 79 D7 8F 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000018FD76C1D20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018FD76B70F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000018FD76C6480, 16 bytes long.
 Data: <&#184;ml&#215;            > B8 6D 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018FD76C6890, 16 bytes long.
 Data: < ml&#215;            > 90 6D 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018FD76BF9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000018FD76C6430, 16 bytes long.
 Data: <hml&#215;            > 68 6D 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018FD76C6110, 16 bytes long.
 Data: <@ml&#215;            > 40 6D 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018FD76C6750, 16 bytes long.
 Data: < ml&#215;            > 18 6D 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018FD76C5FD0, 16 bytes long.
 Data: <&#240;ll&#215;            > F0 6C 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018FD76C4EC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000018FD76C6520, 16 bytes long.
 Data: <&#200;&#236;j&#215;            > C8 EC 6A D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018FD76BF7D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000018FD76C6610, 16 bytes long.
 Data: <&#160;&#236;j&#215;            > A0 EC 6A D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018FD76C6840, 16 bytes long.
 Data: <x&#236;j&#215;            > 78 EC 6A D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018FD76C5C10, 16 bytes long.
 Data: <P&#236;j&#215;            > 50 EC 6A D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018FD76C6390, 16 bytes long.
 Data: <(&#236;j&#215;            > 28 EC 6A D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018FD76C6200, 16 bytes long.
 Data: < &#236;j&#215;            > 00 EC 6A D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018FD76C6930, 16 bytes long.
 Data: <&#216;&#235;j&#215;            > D8 EB 6A D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018FD76BF830, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000018FD76C5AD0, 16 bytes long.
 Data: <&#176;&#235;j&#215;            > B0 EB 6A D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018FD76AEBB0, 320 bytes long.
 Data: <&#208;Zl&#215;    0&#248;k&#215;    > D0 5A 6C D7 8F 01 00 00 30 F8 6B D7 8F 01 00 00 
{276} normal block at 0x0000018FD76C62A0, 16 bytes long.
 Data: <&#208;ll&#215;            > D0 6C 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018FD76C6660, 16 bytes long.
 Data: <&#168;ll&#215;            > A8 6C 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018FD76BFE90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000018FD76C63E0, 16 bytes long.
 Data: < ll&#215;            > 80 6C 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018FD76BFE30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000018FD76C5BC0, 16 bytes long.
 Data: <&#200;kl&#215;            > C8 6B 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018FD76C6A20, 16 bytes long.
 Data: <&#160;kl&#215;            > A0 6B 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018FD76C5EE0, 16 bytes long.
 Data: <xkl&#215;            > 78 6B 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018FD76C5D50, 16 bytes long.
 Data: <Pkl&#215;            > 50 6B 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018FD76C6700, 16 bytes long.
 Data: <(kl&#215;            > 28 6B 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018FD76C64D0, 16 bytes long.
 Data: < kl&#215;            > 00 6B 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018FD76C60C0, 16 bytes long.
 Data: <pTl&#215;            > 70 54 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018FD76C5470, 40 bytes long.
 Data: <&#192;`l&#215;    &#176;&#135;;&#217;    > C0 60 6C D7 8F 01 00 00 B0 87 3B D9 8F 01 00 00 
{262} normal block at 0x0000018FD76C5D00, 16 bytes long.
 Data: <&#224;jl&#215;            > E0 6A 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018FD76C5CB0, 16 bytes long.
 Data: <&#184;jl&#215;            > B8 6A 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018FD76C06D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000018FD76C5DA0, 16 bytes long.
 Data: < jl&#215;            > 90 6A 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018FD76C6A90, 992 bytes long.
 Data: <&#160;]l&#215;    &#208; l&#215;    > A0 5D 6C D7 8F 01 00 00 D0 06 6C D7 8F 01 00 00 
{94} normal block at 0x0000018FD76C0010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000018FD76BDF20, 16 bytes long.
 Data: < Pl&#215;            > 80 50 6C D7 8F 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000018FD76C5080, 40 bytes long.
 Data: < &#223;k&#215;      l&#215;    > 20 DF 6B D7 8F 01 00 00 10 00 6C D7 8F 01 00 00 
{71} normal block at 0x0000018FD76BE420, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018FD76BE060, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018FD76BDBB0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018FD76BE2E0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018FD76BDED0, 16 bytes long.
 Data: <P   &#247;           > 50 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018FD76BDA70, 16 bytes long.
 Data: <0   &#247;           > 30 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018FD76BDAC0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018FD76BD7A0, 16 bytes long.
 Data: <    &#247;           > 10 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018FD76BD840, 16 bytes long.
 Data: <p   &#247;           > 70 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018FD76BD7F0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 13 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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