Task 38685816

Name test_676-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND3088_0
Workunit 31627270
Created 27 Oct 2026, 23:07:10 UTC
Sent 27 Oct 2026, 23:07:12 UTC
Report deadline 1 Nov 2026, 23:07:12 UTC
Received 28 Oct 2026, 0:16:43 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 33 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 721.10 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>
18:52:32 (3612): wrapper (7.9.26016): starting
18:52:32 (3612): 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
18:52:33 (3612): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:52:33 (3612): 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: Exiting with failure status due to previous errors
19:13:00 (3612): C:/Windows/system32/cmd.exe exited; CPU time 1233.703125
19:13:00 (3612): 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: 15334611 bytes.
Dumping objects ->
{3835569} normal block at 0x00000244A3504370, 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 0x00000244A3503D50, 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 0x00000244A3503E30, 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 0x00000244A3504140, 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 0x00000244A35040D0, 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 0x00000244A51672B0, 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 0x00000244A34EE020, 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 0x00000244A34FEF80, 8 bytes long.
 Data: <  K&#163;D   > 00 00 4B A3 44 02 00 00 
{3834703} normal block at 0x00000244A34EDEF0, 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 0x00000244A34FE8A0, 8 bytes long.
 Data: < E &#165;D   > 10 45 1C A5 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000244A3500410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000244A34F6930, 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 0x00000244A35055C0, 16 bytes long.
 Data: <X]P&#163;D           > 58 5D 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000244A3505020, 16 bytes long.
 Data: <0]P&#163;D           > 30 5D 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000244A34FFFE0, 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 0x00000244A3505110, 16 bytes long.
 Data: < ]P&#163;D           > 08 5D 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000244A3505430, 16 bytes long.
 Data: <&#224;\P&#163;D           > E0 5C 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000244A3505250, 16 bytes long.
 Data: <&#184;\P&#163;D           > B8 5C 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000244A3505570, 16 bytes long.
 Data: < \P&#163;D           > 90 5C 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000244A34F8E90, 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 0x00000244A35054D0, 16 bytes long.
 Data: <(&#142;O&#163;D           > 28 8E 4F A3 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000244A34FFE00, 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 0x00000244A3504DA0, 16 bytes long.
 Data: < &#142;O&#163;D           > 00 8E 4F A3 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000244A3505160, 16 bytes long.
 Data: <&#216; O&#163;D           > D8 8D 4F A3 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000244A3505340, 16 bytes long.
 Data: <&#176; O&#163;D           > B0 8D 4F A3 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000244A35053E0, 16 bytes long.
 Data: <  O&#163;D           > 88 8D 4F A3 44 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000244A3504FD0, 16 bytes long.
 Data: <` O&#163;D           > 60 8D 4F A3 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000244A3504CB0, 16 bytes long.
 Data: <8 O&#163;D           > 38 8D 4F A3 44 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000244A34FF7A0, 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 0x00000244A3505390, 16 bytes long.
 Data: <  O&#163;D           > 10 8D 4F A3 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000244A34F8D10, 320 bytes long.
 Data: < SP&#163;D   &#160;&#247;O&#163;D   > 90 53 50 A3 44 02 00 00 A0 F7 4F A3 44 02 00 00 
{273} normal block at 0x00000244A3504D50, 16 bytes long.
 Data: <p\P&#163;D           > 70 5C 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000244A3504DF0, 16 bytes long.
 Data: <H\P&#163;D           > 48 5C 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000244A34FFF80, 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 0x00000244A35047B0, 16 bytes long.
 Data: < \P&#163;D           > 20 5C 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000244A34FF560, 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 0x00000244A3504E90, 16 bytes long.
 Data: <h[P&#163;D           > 68 5B 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000244A3505480, 16 bytes long.
 Data: <@[P&#163;D           > 40 5B 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000244A3504C60, 16 bytes long.
 Data: < [P&#163;D           > 18 5B 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000244A3504B70, 16 bytes long.
 Data: <&#240;ZP&#163;D           > F0 5A 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000244A3504940, 16 bytes long.
 Data: <&#200;ZP&#163;D           > C8 5A 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000244A3504D00, 16 bytes long.
 Data: <&#160;ZP&#163;D           > A0 5A 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000244A35052A0, 16 bytes long.
 Data: <&#192;4O&#163;D           > C0 34 4F A3 44 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000244A34F34C0, 40 bytes long.
 Data: <&#160;RP&#163;D   &#176;r &#165;D   > A0 52 50 A3 44 02 00 00 B0 72 16 A5 44 02 00 00 
{259} normal block at 0x00000244A3504E40, 16 bytes long.
 Data: < ZP&#163;D           > 80 5A 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000244A35051B0, 16 bytes long.
 Data: <XZP&#163;D           > 58 5A 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000244A34FFC80, 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 0x00000244A35048F0, 16 bytes long.
 Data: <0ZP&#163;D           > 30 5A 50 A3 44 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000244A3505A30, 992 bytes long.
 Data: <&#240;HP&#163;D    &#252;O&#163;D   > F0 48 50 A3 44 02 00 00 80 FC 4F A3 44 02 00 00 
{91} normal block at 0x00000244A34FFB00, 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 0x00000244A34FEC60, 16 bytes long.
 Data: <&#160;&#219;N&#163;D           > A0 DB 4E A3 44 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000244A34EDBA0, 40 bytes long.
 Data: <`&#236;O&#163;D    &#251;O&#163;D   > 60 EC 4F A3 44 02 00 00 00 FB 4F A3 44 02 00 00 
{68} normal block at 0x00000244A34FE800, 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 0x00000244A34FE4E0, 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 0x00000244A34FEB20, 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 0x00000244A34FEAD0, 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 0x00000244A34FEA80, 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 0x00000244A34FF200, 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 0x00000244A34FED00, 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 0x00000244A34FE7B0, 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 0x00000244A34FE2B0, 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 0x00000244A34FF070, 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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