Task 38697017

Name test_741-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5122_0
Workunit 31637621
Created 1 Nov 2026, 7:46:40 UTC
Sent 1 Nov 2026, 7:46:51 UTC
Report deadline 6 Nov 2026, 7:46:51 UTC
Received 1 Nov 2026, 8:09:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654924
Run time 18 min 44 sec
CPU time 17 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 769.25 MB
Peak swap size 9.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:50:46 (26452): wrapper (7.9.26016): starting
02:50:46 (26452): 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
02:50:47 (26452): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:50:47 (26452): 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\2\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\2\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
03:09:08 (26452): C:/Windows/system32/cmd.exe exited; CPU time 1034.250000
03:09:08 (26452): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 17468613 bytes.
Dumping objects ->
{3835482} normal block at 0x000001F733D1FD20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835471} normal block at 0x000001F732014BF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001F732014B80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835449} normal block at 0x000001F732014B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x000001F7320148E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835407} normal block at 0x000001F733D99C00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835394} normal block at 0x000001F73200F9C0, 8 bytes long.
 Data: <  &#254;1&#247;   > 00 00 FE 31 F7 01 00 00 
{3833955} normal block at 0x000001F73200FE70, 8 bytes long.
 Data: <&#192;A&#223;3&#247;   > C0 41 DF 33 F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F732011330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F7320066A0, 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 0x000001F7320156B0, 16 bytes long.
 Data: <xf 2&#247;           > 78 66 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F732015E30, 16 bytes long.
 Data: <Pf 2&#247;           > 50 66 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F73200EDB0, 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 0x000001F7320155C0, 16 bytes long.
 Data: <(f 2&#247;           > 28 66 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F732015FC0, 16 bytes long.
 Data: < f 2&#247;           > 00 66 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F7320159D0, 16 bytes long.
 Data: <&#216;e 2&#247;           > D8 65 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F7320153E0, 16 bytes long.
 Data: <&#176;e 2&#247;           > B0 65 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F732014CD0, 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 0x000001F732015660, 16 bytes long.
 Data: <   2&#247;           > 98 8F 00 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F73200F4D0, 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 0x000001F732015520, 16 bytes long.
 Data: <p  2&#247;           > 70 8F 00 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F732015C00, 16 bytes long.
 Data: <H  2&#247;           > 48 8F 00 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F7320160B0, 16 bytes long.
 Data: <   2&#247;           > 20 8F 00 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F732015ED0, 16 bytes long.
 Data: <&#248;&#142; 2&#247;           > F8 8E 00 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F7320154D0, 16 bytes long.
 Data: <&#208;&#142; 2&#247;           > D0 8E 00 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F732015BB0, 16 bytes long.
 Data: <&#168;&#142; 2&#247;           > A8 8E 00 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F73200F110, 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 0x000001F732015570, 16 bytes long.
 Data: < &#142; 2&#247;           > 80 8E 00 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F732008E80, 320 bytes long.
 Data: <pU 2&#247;    &#241; 2&#247;   > 70 55 01 32 F7 01 00 00 10 F1 00 32 F7 01 00 00 
{273} normal block at 0x000001F732015DE0, 16 bytes long.
 Data: < e 2&#247;           > 90 65 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F7320158E0, 16 bytes long.
 Data: <he 2&#247;           > 68 65 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F73200E750, 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 0x000001F732015480, 16 bytes long.
 Data: <@e 2&#247;           > 40 65 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F73200F170, 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 0x000001F732015F20, 16 bytes long.
 Data: < d 2&#247;           > 88 64 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F732015430, 16 bytes long.
 Data: <`d 2&#247;           > 60 64 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F7320161A0, 16 bytes long.
 Data: <8d 2&#247;           > 38 64 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F732015D90, 16 bytes long.
 Data: < d 2&#247;           > 10 64 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F7320157A0, 16 bytes long.
 Data: <&#232;c 2&#247;           > E8 63 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F7320157F0, 16 bytes long.
 Data: <&#192;c 2&#247;           > C0 63 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F732016150, 16 bytes long.
 Data: <PI 2&#247;           > 50 49 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F732014950, 40 bytes long.
 Data: <Pa 2&#247;    &#156;&#217;3&#247;   > 50 61 01 32 F7 01 00 00 00 9C D9 33 F7 01 00 00 
{259} normal block at 0x000001F732015390, 16 bytes long.
 Data: <&#160;c 2&#247;           > A0 63 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F732015980, 16 bytes long.
 Data: <xc 2&#247;           > 78 63 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F73200EF90, 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 0x000001F732016060, 16 bytes long.
 Data: <Pc 2&#247;           > 50 63 01 32 F7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F732016350, 992 bytes long.
 Data: <`` 2&#247;    &#239; 2&#247;   > 60 60 01 32 F7 01 00 00 90 EF 00 32 F7 01 00 00 
{91} normal block at 0x000001F73200E9F0, 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 0x000001F73200FCE0, 16 bytes long.
 Data: <&#224;&#238;&#255;1&#247;           > E0 EE FF 31 F7 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001F731FFEEE0, 40 bytes long.
 Data: <&#224;&#252; 2&#247;   &#240;&#233; 2&#247;   > E0 FC 00 32 F7 01 00 00 F0 E9 00 32 F7 01 00 00 
{68} normal block at 0x000001F73200FE20, 16 bytes long.
 Data: < &#234;;&#183;&#247;           > 80 EA 3B B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F73200FF10, 16 bytes long.
 Data: <@&#233;;&#183;&#247;           > 40 E9 3B B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F7320100F0, 16 bytes long.
 Data: <&#248;W8&#183;&#247;           > F8 57 38 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F73200FC90, 16 bytes long.
 Data: <&#216;W8&#183;&#247;           > D8 57 38 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F73200F970, 16 bytes long.
 Data: <P 8&#183;&#247;           > 50 04 38 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F7320105A0, 16 bytes long.
 Data: <0 8&#183;&#247;           > 30 04 38 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F73200F6F0, 16 bytes long.
 Data: <&#224; 8&#183;&#247;           > E0 02 38 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F73200F880, 16 bytes long.
 Data: <  8&#183;&#247;           > 10 04 38 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F73200F920, 16 bytes long.
 Data: <p 8&#183;&#247;           > 70 04 38 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F73200F6A0, 16 bytes long.
 Data: < &#192;6&#183;&#247;           > 18 C0 36 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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