Task 38696337

Name test_276-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5336_0
Workunit 31636974
Created 31 Oct 2026, 22:17:31 UTC
Sent 31 Oct 2026, 22:17:33 UTC
Report deadline 5 Nov 2026, 22:17:33 UTC
Received 31 Oct 2026, 22:38:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604417
Run time 18 min 26 sec
CPU time 16 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,842.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.99 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:19:47 (63960): wrapper (7.9.26016): starting
23:19:47 (63960): 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
23:19:48 (63960): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:19:48 (63960): 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\10\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\10\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
23:37:25 (63960): C:/Windows/system32/cmd.exe exited; CPU time 1003.421875
23:37:25 (63960): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 30465721 bytes.
Dumping objects ->
{3835288} normal block at 0x000002A5B1BEF9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000002A5B1BEF5F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000002A5B1BEF510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835255} normal block at 0x000002A5B1BEFF20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000002A5AFF164B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835213} normal block at 0x000002A5B1C3E0D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x000002A5AFF605B0, 140 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) : {3835199} normal block at 0x000002A5AFF106B0, 8 bytes long.
 Data: <  V&#176;&#165;   > 00 00 56 B0 A5 02 00 00 
{3834570} normal block at 0x000002A5AFF622F0, 140 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 0x000002A5AFF10D40, 8 bytes long.
 Data: < &#210;&#196;&#177;&#165;   > 10 D2 C4 B1 A5 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002A5AFF0B200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A5AFF05130, 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 0x000002A5AFF18C50, 16 bytes long.
 Data: <&#216; &#241;&#175;&#165;           > D8 90 F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A5AFF18CF0, 16 bytes long.
 Data: <&#176; &#241;&#175;&#165;           > B0 90 F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A5AFF12220, 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 0x000002A5AFF18610, 16 bytes long.
 Data: <  &#241;&#175;&#165;           > 88 90 F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A5AFF17E40, 16 bytes long.
 Data: <` &#241;&#175;&#165;           > 60 90 F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A5AFF18340, 16 bytes long.
 Data: <8 &#241;&#175;&#165;           > 38 90 F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A5AFF18A20, 16 bytes long.
 Data: <  &#241;&#175;&#165;           > 10 90 F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A5AFF16210, 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 0x000002A5AFF18930, 16 bytes long.
 Data: < .&#240;&#175;&#165;           > 98 2E F0 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A5AFF123A0, 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 0x000002A5AFF18570, 16 bytes long.
 Data: <p.&#240;&#175;&#165;           > 70 2E F0 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A5AFF182F0, 16 bytes long.
 Data: <H.&#240;&#175;&#165;           > 48 2E F0 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A5AFF18110, 16 bytes long.
 Data: < .&#240;&#175;&#165;           > 20 2E F0 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A5AFF18520, 16 bytes long.
 Data: <&#248;-&#240;&#175;&#165;           > F8 2D F0 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A5AFF18660, 16 bytes long.
 Data: <&#208;-&#240;&#175;&#165;           > D0 2D F0 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A5AFF18840, 16 bytes long.
 Data: <&#168;-&#240;&#175;&#165;           > A8 2D F0 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A5AFF12340, 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 0x000002A5AFF18980, 16 bytes long.
 Data: < -&#240;&#175;&#165;           > 80 2D F0 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A5AFF02D80, 320 bytes long.
 Data: < &#137;&#241;&#175;&#165;   @#&#241;&#175;&#165;   > 80 89 F1 AF A5 02 00 00 40 23 F1 AF A5 02 00 00 
{273} normal block at 0x000002A5AFF184D0, 16 bytes long.
 Data: <&#240;&#143;&#241;&#175;&#165;           > F0 8F F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A5AFF180C0, 16 bytes long.
 Data: <&#200;&#143;&#241;&#175;&#165;           > C8 8F F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A5AFF12760, 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 0x000002A5AFF18250, 16 bytes long.
 Data: <&#160;&#143;&#241;&#175;&#165;           > A0 8F F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A5AFF12BE0, 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 0x000002A5AFF18890, 16 bytes long.
 Data: <&#232;&#142;&#241;&#175;&#165;           > E8 8E F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A5AFF18430, 16 bytes long.
 Data: <&#192;&#142;&#241;&#175;&#165;           > C0 8E F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A5AFF18070, 16 bytes long.
 Data: < &#142;&#241;&#175;&#165;           > 98 8E F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A5AFF18200, 16 bytes long.
 Data: <p&#142;&#241;&#175;&#165;           > 70 8E F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A5AFF188E0, 16 bytes long.
 Data: <H&#142;&#241;&#175;&#165;           > 48 8E F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A5AFF18A70, 16 bytes long.
 Data: < &#142;&#241;&#175;&#165;           > 20 8E F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A5AFF17FD0, 16 bytes long.
 Data: <&#208;c&#241;&#175;&#165;           > D0 63 F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A5AFF163D0, 40 bytes long.
 Data: <&#208; &#241;&#175;&#165;   &#208;&#224;&#195;&#177;&#165;   > D0 7F F1 AF A5 02 00 00 D0 E0 C3 B1 A5 02 00 00 
{259} normal block at 0x000002A5AFF17F80, 16 bytes long.
 Data: < &#142;&#241;&#175;&#165;           > 00 8E F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A5AFF18480, 16 bytes long.
 Data: <&#216;&#141;&#241;&#175;&#165;           > D8 8D F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A5AFF12160, 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 0x000002A5AFF18160, 16 bytes long.
 Data: <&#176;&#141;&#241;&#175;&#165;           > B0 8D F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002A5AFF18DB0, 992 bytes long.
 Data: <` &#241;&#175;&#165;   `!&#241;&#175;&#165;   > 60 81 F1 AF A5 02 00 00 60 21 F1 AF A5 02 00 00 
{91} normal block at 0x000002A5AFF12700, 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 0x000002A5AFF107F0, 16 bytes long.
 Data: <&#224;f&#241;&#175;&#165;           > E0 66 F1 AF A5 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002A5AFF166E0, 40 bytes long.
 Data: <&#240; &#241;&#175;&#165;    '&#241;&#175;&#165;   > F0 07 F1 AF A5 02 00 00 00 27 F1 AF A5 02 00 00 
{68} normal block at 0x000002A5AFF10610, 16 bytes long.
 Data: < &#234;VV&#247;           > 80 EA 56 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A5AFF109D0, 16 bytes long.
 Data: <@&#233;VV&#247;           > 40 E9 56 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A5AFF108E0, 16 bytes long.
 Data: <&#248;WSV&#247;           > F8 57 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A5AFF104D0, 16 bytes long.
 Data: <&#216;WSV&#247;           > D8 57 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A5AFF10700, 16 bytes long.
 Data: <P SV&#247;           > 50 04 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A5AFF10C50, 16 bytes long.
 Data: <0 SV&#247;           > 30 04 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A5AFF10250, 16 bytes long.
 Data: <&#224; SV&#247;           > E0 02 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A5AFF0FFD0, 16 bytes long.
 Data: <  SV&#247;           > 10 04 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A5AFF0FEE0, 16 bytes long.
 Data: <p SV&#247;           > 70 04 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A5AFF10A70, 16 bytes long.
 Data: < &#192;QV&#247;           > 18 C0 51 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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