Task 38685317

Name test_60-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5548_0
Workunit 31626792
Created 27 Oct 2026, 20:28:16 UTC
Sent 27 Oct 2026, 20:28:20 UTC
Report deadline 1 Nov 2026, 20:28:20 UTC
Received 27 Oct 2026, 21:27:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 21 min 1 sec
CPU time 20 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,700.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.75 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:03:12 (16524): wrapper (7.9.26016): starting
16:03:12 (16524): 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
16:03:13 (16524): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:03:13 (16524): 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
16:23:40 (16524): C:/Windows/system32/cmd.exe exited; CPU time 1241.734375
16:23:40 (16524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15324369 bytes.
Dumping objects ->
{3835569} normal block at 0x0000022CAC7F4060, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x0000022CAC7F3CE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000022CAC7F3DC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x0000022CAC7F3FF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000022CAC7F3D50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x0000022CAE4F8AB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x0000022CAC7DBC30, 235 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) : {3835480} normal block at 0x0000022CAC7EEF30, 8 bytes long.
 Data: <  &#188;&#172;,   > 00 00 BC AC 2C 02 00 00 
{3834703} normal block at 0x0000022CAC7DBB00, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000022CAC7EECB0, 8 bytes long.
 Data: < EU&#174;,   > 10 45 55 AE 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000022CAC7F0410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022CAC7E6270, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000022CAC7F5250, 16 bytes long.
 Data: <X] &#172;,           > 58 5D 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022CAC7F4F80, 16 bytes long.
 Data: <0] &#172;,           > 30 5D 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022CAC7EF380, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000022CAC7F54D0, 16 bytes long.
 Data: < ] &#172;,           > 08 5D 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022CAC7F55C0, 16 bytes long.
 Data: <&#224;\ &#172;,           > E0 5C 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022CAC7F4D00, 16 bytes long.
 Data: <&#184;\ &#172;,           > B8 5C 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022CAC7F52F0, 16 bytes long.
 Data: < \ &#172;,           > 90 5C 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022CAC7E8E90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000022CAC7F4BC0, 16 bytes long.
 Data: <(&#142;~&#172;,           > 28 8E 7E AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022CAC7EFE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000022CAC7F4B20, 16 bytes long.
 Data: < &#142;~&#172;,           > 00 8E 7E AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022CAC7F48F0, 16 bytes long.
 Data: <&#216; ~&#172;,           > D8 8D 7E AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022CAC7F4B70, 16 bytes long.
 Data: <&#176; ~&#172;,           > B0 8D 7E AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022CAC7F4DF0, 16 bytes long.
 Data: <  ~&#172;,           > 88 8D 7E AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022CAC7F51B0, 16 bytes long.
 Data: <` ~&#172;,           > 60 8D 7E AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022CAC7F4760, 16 bytes long.
 Data: <8 ~&#172;,           > 38 8D 7E AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022CAC7EF800, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000022CAC7F5570, 16 bytes long.
 Data: <  ~&#172;,           > 10 8D 7E AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022CAC7E8D10, 320 bytes long.
 Data: <pU &#172;,    &#248;~&#172;,   > 70 55 7F AC 2C 02 00 00 00 F8 7E AC 2C 02 00 00 
{273} normal block at 0x0000022CAC7F5110, 16 bytes long.
 Data: <p\ &#172;,           > 70 5C 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022CAC7F4A80, 16 bytes long.
 Data: <H\ &#172;,           > 48 5C 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022CAC7EF860, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000022CAC7F4E40, 16 bytes long.
 Data: < \ &#172;,           > 20 5C 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022CAC7EFB00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000022CAC7F50C0, 16 bytes long.
 Data: <h[ &#172;,           > 68 5B 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022CAC7F4710, 16 bytes long.
 Data: <@[ &#172;,           > 40 5B 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022CAC7F5160, 16 bytes long.
 Data: < [ &#172;,           > 18 5B 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022CAC7F5200, 16 bytes long.
 Data: <&#240;Z &#172;,           > F0 5A 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022CAC7F4DA0, 16 bytes long.
 Data: <&#200;Z &#172;,           > C8 5A 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022CAC7F5390, 16 bytes long.
 Data: <&#160;Z &#172;,           > A0 5A 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022CAC7F4E90, 16 bytes long.
 Data: <&#192;4~&#172;,           > C0 34 7E AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022CAC7E34C0, 40 bytes long.
 Data: < N &#172;,   &#176;&#138;O&#174;,   > 90 4E 7F AC 2C 02 00 00 B0 8A 4F AE 2C 02 00 00 
{259} normal block at 0x0000022CAC7F4AD0, 16 bytes long.
 Data: < Z &#172;,           > 80 5A 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022CAC7F4A30, 16 bytes long.
 Data: <XZ &#172;,           > 58 5A 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022CAC7EF9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000022CAC7F5480, 16 bytes long.
 Data: <0Z &#172;,           > 30 5A 7F AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022CAC7F5A30, 992 bytes long.
 Data: < T &#172;,   &#224;&#249;~&#172;,   > 80 54 7F AC 2C 02 00 00 E0 F9 7E AC 2C 02 00 00 
{91} normal block at 0x0000022CAC7EFA40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000022CAC7EEE40, 16 bytes long.
 Data: <&#160;&#219;}&#172;,           > A0 DB 7D AC 2C 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000022CAC7DDBA0, 40 bytes long.
 Data: <@&#238;~&#172;,   @&#250;~&#172;,   > 40 EE 7E AC 2C 02 00 00 40 FA 7E AC 2C 02 00 00 
{68} normal block at 0x0000022CAC7EE7B0, 16 bytes long.
 Data: < &#234;&#174;&#188;&#246;           > 80 EA AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022CAC7EED50, 16 bytes long.
 Data: <@&#233;&#174;&#188;&#246;           > 40 E9 AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022CAC7EEA30, 16 bytes long.
 Data: <&#248;W&#171;&#188;&#246;           > F8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022CAC7EEDF0, 16 bytes long.
 Data: <&#216;W&#171;&#188;&#246;           > D8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022CAC7EE800, 16 bytes long.
 Data: <P &#171;&#188;&#246;           > 50 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022CAC7EEC10, 16 bytes long.
 Data: <0 &#171;&#188;&#246;           > 30 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022CAC7EEDA0, 16 bytes long.
 Data: <&#224; &#171;&#188;&#246;           > E0 02 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022CAC7EE9E0, 16 bytes long.
 Data: <  &#171;&#188;&#246;           > 10 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022CAC7EE990, 16 bytes long.
 Data: <p &#171;&#188;&#246;           > 70 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022CAC7EEC60, 16 bytes long.
 Data: < &#192;&#169;&#188;&#246;           > 18 C0 A9 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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