Task 38679920

Name test_497-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND2344_0
Workunit 31621677
Created 26 Oct 2026, 22:12:01 UTC
Sent 26 Oct 2026, 22:12:11 UTC
Report deadline 31 Oct 2026, 22:12:11 UTC
Received 26 Oct 2026, 22:49:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 582876
Run time 31 min 7 sec
CPU time 27 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.80 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:19:14 (4924): wrapper (7.9.26016): starting
23:19:14 (4924): 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
23:19:16 (4924): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:19:16 (4924): 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:\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 'D:\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
23:48:02 (4924): C:/Windows/system32/cmd.exe exited; CPU time 1670.234375
23:48:02 (4924): 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: 30603455 bytes.
Dumping objects ->
{3835278} normal block at 0x000002776FE1A5A0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002776FDF4C90, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000002776FDF47C0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x000002776FDF4BB0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000002776FDF4980, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x0000027771B55E80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000027771B6EB30, 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) : {3835189} normal block at 0x000002776FDED5B0, 8 bytes long.
 Data: <  &#220;ow   > 00 00 DC 6F 77 02 00 00 
{3834567} normal block at 0x0000027771B6ED40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833962} normal block at 0x000002776FDEDA10, 8 bytes long.
 Data: < &#228;&#166;qw   > 00 E4 A6 71 77 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002776FDF0DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002776FDE65C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002776FDF60A0, 16 bytes long.
 Data: < d&#223;ow           > 88 64 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002776FDF5BF0, 16 bytes long.
 Data: <`d&#223;ow           > 60 64 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002776FDEEF20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002776FDF58D0, 16 bytes long.
 Data: <8d&#223;ow           > 38 64 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002776FDF5880, 16 bytes long.
 Data: < d&#223;ow           > 10 64 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002776FDF51A0, 16 bytes long.
 Data: <&#232;c&#223;ow           > E8 63 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002776FDF55B0, 16 bytes long.
 Data: <&#192;c&#223;ow           > C0 63 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002776FDF4590, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002776FDF5AB0, 16 bytes long.
 Data: < &#177;&#221;ow           > 18 B1 DD 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002776FDEF160, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002776FDF59C0, 16 bytes long.
 Data: <&#240;&#176;&#221;ow           > F0 B0 DD 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002776FDF5560, 16 bytes long.
 Data: <&#200;&#176;&#221;ow           > C8 B0 DD 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002776FDF5970, 16 bytes long.
 Data: <&#160;&#176;&#221;ow           > A0 B0 DD 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002776FDF5B50, 16 bytes long.
 Data: <x&#176;&#221;ow           > 78 B0 DD 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002776FDF5D30, 16 bytes long.
 Data: <P&#176;&#221;ow           > 50 B0 DD 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002776FDF5C40, 16 bytes long.
 Data: <(&#176;&#221;ow           > 28 B0 DD 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002776FDEEFE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002776FDF5510, 16 bytes long.
 Data: < &#176;&#221;ow           > 00 B0 DD 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002776FDDB000, 320 bytes long.
 Data: < U&#223;ow   &#224;&#239;&#222;ow   > 10 55 DF 6F 77 02 00 00 E0 EF DE 6F 77 02 00 00 
{274} normal block at 0x000002776FDF5FB0, 16 bytes long.
 Data: <&#160;c&#223;ow           > A0 63 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002776FDF5420, 16 bytes long.
 Data: <xc&#223;ow           > 78 63 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002776FDEEE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002776FDF5C90, 16 bytes long.
 Data: <Pc&#223;ow           > 50 63 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002776FDEF3A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002776FDF5830, 16 bytes long.
 Data: < b&#223;ow           > 98 62 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002776FDF5CE0, 16 bytes long.
 Data: <pb&#223;ow           > 70 62 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002776FDF6050, 16 bytes long.
 Data: <Hb&#223;ow           > 48 62 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002776FDF5B00, 16 bytes long.
 Data: < b&#223;ow           > 20 62 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002776FDF53D0, 16 bytes long.
 Data: <&#248;a&#223;ow           > F8 61 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002776FDF5A60, 16 bytes long.
 Data: <&#208;a&#223;ow           > D0 61 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002776FDF6000, 16 bytes long.
 Data: < I&#223;ow           > 10 49 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002776FDF4910, 40 bytes long.
 Data: < `&#223;ow    ^&#181;qw   > 00 60 DF 6F 77 02 00 00 80 5E B5 71 77 02 00 00 
{260} normal block at 0x000002776FDF60F0, 16 bytes long.
 Data: <&#176;a&#223;ow           > B0 61 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002776FDF5330, 16 bytes long.
 Data: < a&#223;ow           > 88 61 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002776FDEEEC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002776FDF54C0, 16 bytes long.
 Data: <`a&#223;ow           > 60 61 DF 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002776FDF6160, 992 bytes long.
 Data: <&#192;T&#223;ow   &#192;&#238;&#222;ow   > C0 54 DF 6F 77 02 00 00 C0 EE DE 6F 77 02 00 00 
{92} normal block at 0x000002776FDEF5E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002776FDED970, 16 bytes long.
 Data: <&#224;&#224;&#221;ow           > E0 E0 DD 6F 77 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002776FDDE0E0, 40 bytes long.
 Data: <p&#217;&#222;ow   &#224;&#245;&#222;ow   > 70 D9 DE 6F 77 02 00 00 E0 F5 DE 6F 77 02 00 00 
{69} normal block at 0x000002776FDED560, 16 bytes long.
 Data: < &#234; d&#246;           > 80 EA 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002776FDED1F0, 16 bytes long.
 Data: <@&#233; d&#246;           > 40 E9 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002776FDED8D0, 16 bytes long.
 Data: <&#248;W d&#246;           > F8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002776FDED060, 16 bytes long.
 Data: <&#216;W d&#246;           > D8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002776FDEDDD0, 16 bytes long.
 Data: <P  d&#246;           > 50 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002776FDED510, 16 bytes long.
 Data: <0  d&#246;           > 30 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002776FDED330, 16 bytes long.
 Data: <&#224;  d&#246;           > E0 02 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002776FDEDD80, 16 bytes long.
 Data: <   d&#246;           > 10 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002776FDED740, 16 bytes long.
 Data: <p  d&#246;           > 70 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002776FDED6F0, 16 bytes long.
 Data: < &#192; d&#246;           > 18 C0 03 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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