Task 38685838

Name test_478-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5382_0
Workunit 31627292
Created 27 Oct 2026, 23:13:09 UTC
Sent 27 Oct 2026, 23:13:12 UTC
Report deadline 1 Nov 2026, 23:13:12 UTC
Received 28 Oct 2026, 0:37:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 21 min 7 sec
CPU time 20 min 30 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 740.50 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:13:38 (11692): wrapper (7.9.26016): starting
19:13:38 (11692): 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
19:13:39 (11692): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:13:39 (11692): 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
19:34:11 (11692): C:/Windows/system32/cmd.exe exited; CPU time 1230.406250
19:34:11 (11692): 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: 15361017 bytes.
Dumping objects ->
{3835569} normal block at 0x00000279DFF852C0, 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 0x00000279DFF853A0, 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 0x00000279DFF85720, 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 0x00000279DFF85410, 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 0x00000279DFF855D0, 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 0x00000279E1D19650, 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 0x00000279E1D74920, 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 0x00000279DFF7F080, 8 bytes long.
 Data: <  &#244;&#223;y   > 00 00 F4 DF 79 02 00 00 
{3834703} normal block at 0x00000279E1D74A50, 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 0x00000279DFF7ED10, 8 bytes long.
 Data: <&#160;D&#215;&#225;y   > A0 44 D7 E1 79 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000279DFF80920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000279DFF75CE0, 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 0x00000279DFF868A0, 16 bytes long.
 Data: <xm&#248;&#223;y           > 78 6D F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000279DFF86350, 16 bytes long.
 Data: <Pm&#248;&#223;y           > 50 6D F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000279DFF7F750, 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 0x00000279DFF86760, 16 bytes long.
 Data: <(m&#248;&#223;y           > 28 6D F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000279DFF860D0, 16 bytes long.
 Data: < m&#248;&#223;y           > 00 6D F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000279DFF85FE0, 16 bytes long.
 Data: <&#216;l&#248;&#223;y           > D8 6C F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000279DFF866C0, 16 bytes long.
 Data: <&#176;l&#248;&#223;y           > B0 6C F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000279DFF78EA0, 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 0x00000279DFF85EF0, 16 bytes long.
 Data: <8&#142;&#247;&#223;y           > 38 8E F7 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000279DFF7FAB0, 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 0x00000279DFF85E00, 16 bytes long.
 Data: < &#142;&#247;&#223;y           > 10 8E F7 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000279DFF86080, 16 bytes long.
 Data: <&#232; &#247;&#223;y           > E8 8D F7 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000279DFF86300, 16 bytes long.
 Data: <&#192; &#247;&#223;y           > C0 8D F7 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000279DFF86210, 16 bytes long.
 Data: <  &#247;&#223;y           > 98 8D F7 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000279DFF85F90, 16 bytes long.
 Data: <p &#247;&#223;y           > 70 8D F7 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000279DFF86530, 16 bytes long.
 Data: <H &#247;&#223;y           > 48 8D F7 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000279DFF7F330, 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 0x00000279DFF864E0, 16 bytes long.
 Data: <  &#247;&#223;y           > 20 8D F7 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000279DFF78D20, 320 bytes long.
 Data: <&#224;d&#248;&#223;y   0&#243;&#247;&#223;y   > E0 64 F8 DF 79 02 00 00 30 F3 F7 DF 79 02 00 00 
{273} normal block at 0x00000279DFF86490, 16 bytes long.
 Data: < l&#248;&#223;y           > 90 6C F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000279DFF86260, 16 bytes long.
 Data: <hl&#248;&#223;y           > 68 6C F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000279DFF80170, 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 0x00000279DFF868F0, 16 bytes long.
 Data: <@l&#248;&#223;y           > 40 6C F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000279DFF7F510, 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 0x00000279DFF85CC0, 16 bytes long.
 Data: < k&#248;&#223;y           > 88 6B F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000279DFF86850, 16 bytes long.
 Data: <`k&#248;&#223;y           > 60 6B F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000279DFF86580, 16 bytes long.
 Data: <8k&#248;&#223;y           > 38 6B F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000279DFF86440, 16 bytes long.
 Data: < k&#248;&#223;y           > 10 6B F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000279DFF86670, 16 bytes long.
 Data: <&#232;j&#248;&#223;y           > E8 6A F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000279DFF861C0, 16 bytes long.
 Data: <&#192;j&#248;&#223;y           > C0 6A F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000279DFF863F0, 16 bytes long.
 Data: <&#208;4&#247;&#223;y           > D0 34 F7 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000279DFF734D0, 40 bytes long.
 Data: <&#240;c&#248;&#223;y   P&#150;&#209;&#225;y   > F0 63 F8 DF 79 02 00 00 50 96 D1 E1 79 02 00 00 
{259} normal block at 0x00000279DFF86620, 16 bytes long.
 Data: <&#160;j&#248;&#223;y           > A0 6A F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000279DFF86710, 16 bytes long.
 Data: <xj&#248;&#223;y           > 78 6A F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000279DFF7F630, 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 0x00000279DFF869E0, 16 bytes long.
 Data: <Pj&#248;&#223;y           > 50 6A F8 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000279DFF86A50, 992 bytes long.
 Data: <&#224;i&#248;&#223;y   0&#246;&#247;&#223;y   > E0 69 F8 DF 79 02 00 00 30 F6 F7 DF 79 02 00 00 
{91} normal block at 0x00000279DFF7FDB0, 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 0x00000279DFF7EA40, 16 bytes long.
 Data: <&#160;&#219;&#246;&#223;y           > A0 DB F6 DF 79 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000279DFF6DBA0, 40 bytes long.
 Data: <@&#234;&#247;&#223;y   &#176;&#253;&#247;&#223;y   > 40 EA F7 DF 79 02 00 00 B0 FD F7 DF 79 02 00 00 
{68} normal block at 0x00000279DFF7E680, 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 0x00000279DFF7E8B0, 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 0x00000279DFF7E310, 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 0x00000279DFF7E810, 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 0x00000279DFF7E7C0, 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 0x00000279DFF7E950, 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 0x00000279DFF7EC20, 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 0x00000279DFF7E360, 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 0x00000279DFF7E860, 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 0x00000279DFF7F030, 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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