Task 38679573

Name test_399-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4608_0
Workunit 31621344
Created 26 Oct 2026, 21:01:26 UTC
Sent 26 Oct 2026, 21:01:26 UTC
Report deadline 31 Oct 2026, 21:01:26 UTC
Received 26 Oct 2026, 21:35:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 26 sec
CPU time 30 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.92 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:03:12 (5572): wrapper (7.9.26016): starting
22:03:12 (5572): 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
22:03:14 (5572): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:03:14 (5572): 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\6\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\6\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
22:35:12 (5572): C:/Windows/system32/cmd.exe exited; CPU time 1844.078125
22:35:12 (5572): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25639995 bytes.
Dumping objects ->
{3835311} normal block at 0x000001BDA8F29A80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001BDA8F29C40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001BDA8F047F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001BDA8F04780, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001BDA8F04710, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001BDAABB38C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001BDA8F69770, 141 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) : {3835222} normal block at 0x000001BDA8EFECE0, 8 bytes long.
 Data: <  &#237;&#168;&#189;   > 00 00 ED A8 BD 01 00 00 
{3834575} normal block at 0x000001BDA8F69910, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001BDA8EFEDD0, 8 bytes long.
 Data: <&#176;G&#196;&#170;&#189;   > B0 47 C4 AA BD 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001BDA8F00AD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BDA8EF69A0, 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 0x000001BDA8F06130, 16 bytes long.
 Data: < f&#240;&#168;&#189;           > 08 66 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BDA8F05690, 16 bytes long.
 Data: <&#224;e&#240;&#168;&#189;           > E0 65 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BDA8F00180, 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 0x000001BDA8F055F0, 16 bytes long.
 Data: <&#184;e&#240;&#168;&#189;           > B8 65 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BDA8F05550, 16 bytes long.
 Data: < e&#240;&#168;&#189;           > 90 65 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BDA8F05BE0, 16 bytes long.
 Data: <he&#240;&#168;&#189;           > 68 65 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BDA8F06270, 16 bytes long.
 Data: <@e&#240;&#168;&#189;           > 40 65 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BDA8F04860, 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 0x000001BDA8F05DC0, 16 bytes long.
 Data: < &#142;&#239;&#168;&#189;           > 08 8E EF A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BDA8EFFFA0, 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 0x000001BDA8F05640, 16 bytes long.
 Data: <&#224; &#239;&#168;&#189;           > E0 8D EF A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BDA8F05500, 16 bytes long.
 Data: <&#184; &#239;&#168;&#189;           > B8 8D EF A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BDA8F054B0, 16 bytes long.
 Data: <  &#239;&#168;&#189;           > 90 8D EF A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BDA8F05B90, 16 bytes long.
 Data: <h &#239;&#168;&#189;           > 68 8D EF A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BDA8F06220, 16 bytes long.
 Data: <@ &#239;&#168;&#189;           > 40 8D EF A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BDA8F05820, 16 bytes long.
 Data: <  &#239;&#168;&#189;           > 18 8D EF A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BDA8EFFC40, 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 0x000001BDA8F05320, 16 bytes long.
 Data: <&#240;&#140;&#239;&#168;&#189;           > F0 8C EF A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BDA8EF8CF0, 320 bytes long.
 Data: < S&#240;&#168;&#189;   @&#252;&#239;&#168;&#189;   > 20 53 F0 A8 BD 01 00 00 40 FC EF A8 BD 01 00 00 
{274} normal block at 0x000001BDA8F056E0, 16 bytes long.
 Data: < e&#240;&#168;&#189;           > 20 65 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BDA8F057D0, 16 bytes long.
 Data: <&#248;d&#240;&#168;&#189;           > F8 64 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BDA8F00000, 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 0x000001BDA8F05D70, 16 bytes long.
 Data: <&#208;d&#240;&#168;&#189;           > D0 64 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BDA8EFF760, 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 0x000001BDA8F055A0, 16 bytes long.
 Data: < d&#240;&#168;&#189;           > 18 64 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BDA8F05460, 16 bytes long.
 Data: <&#240;c&#240;&#168;&#189;           > F0 63 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BDA8F05370, 16 bytes long.
 Data: <&#200;c&#240;&#168;&#189;           > C8 63 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BDA8F05D20, 16 bytes long.
 Data: <&#160;c&#240;&#168;&#189;           > A0 63 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BDA8F06090, 16 bytes long.
 Data: <xc&#240;&#168;&#189;           > 78 63 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BDA8F05730, 16 bytes long.
 Data: <Pc&#240;&#168;&#189;           > 50 63 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BDA8F061D0, 16 bytes long.
 Data: <&#176;I&#240;&#168;&#189;           > B0 49 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BDA8F049B0, 40 bytes long.
 Data: <&#208;a&#240;&#168;&#189;   &#192;8&#187;&#170;&#189;   > D0 61 F0 A8 BD 01 00 00 C0 38 BB AA BD 01 00 00 
{260} normal block at 0x000001BDA8F05FA0, 16 bytes long.
 Data: <0c&#240;&#168;&#189;           > 30 63 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BDA8F05E10, 16 bytes long.
 Data: < c&#240;&#168;&#189;           > 08 63 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BDA8EFF700, 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 0x000001BDA8F05780, 16 bytes long.
 Data: <&#224;b&#240;&#168;&#189;           > E0 62 F0 A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BDA8F062E0, 992 bytes long.
 Data: < W&#240;&#168;&#189;    &#247;&#239;&#168;&#189;   > 80 57 F0 A8 BD 01 00 00 00 F7 EF A8 BD 01 00 00 
{92} normal block at 0x000001BDA8EFFA00, 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 0x000001BDA8EFEBF0, 16 bytes long.
 Data: <&#160;&#210;&#238;&#168;&#189;           > A0 D2 EE A8 BD 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001BDA8EED2A0, 40 bytes long.
 Data: <&#240;&#235;&#239;&#168;&#189;    &#250;&#239;&#168;&#189;   > F0 EB EF A8 BD 01 00 00 00 FA EF A8 BD 01 00 00 
{69} normal block at 0x000001BDA8EFEF60, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BDA8EFE7E0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BDA8EFE470, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BDA8EFF0A0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BDA8EFEBA0, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BDA8EFE650, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BDA8EFE510, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BDA8EFEC90, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BDA8EFEA60, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BDA8EFF050, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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