Task 38673975

Name test_932-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND1145_0
Workunit 31616029
Created 26 Oct 2026, 3:57:08 UTC
Sent 26 Oct 2026, 3:57:15 UTC
Report deadline 31 Oct 2026, 3:57:15 UTC
Received 26 Oct 2026, 4:38:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 38 min 41 sec
CPU time 36 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.05 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:59:55 (26156): wrapper (7.9.26016): starting
23:59:55 (26156): 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
23:59:57 (26156): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:59:57 (26156): 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\3\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\3\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
00:37:46 (26156): C:/Windows/system32/cmd.exe exited; CPU time 2207.062500
00:37:46 (26156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 33929703 bytes.
Dumping objects ->
{3835479} normal block at 0x000001ACAB784CA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001ACAB784C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001ACAB784BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x000001ACAB784B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x000001ACAB784A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x000001ACAD557990, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000001ACAD56E9E0, 102 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) : {3835390} normal block at 0x000001ACAB77FC00, 8 bytes long.
 Data: <  p&#171;&#172;   > 00 00 70 AB AC 01 00 00 
{3834663} normal block at 0x000001ACAD56E720, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001ACAB77F520, 8 bytes long.
 Data: < &#184;z&#171;&#172;   > 00 B8 7A AB AC 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001ACAB780FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001ACAB775DC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001ACAB786620, 16 bytes long.
 Data: <&#216;Ux&#171;&#172;           > D8 55 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001ACAB785E00, 16 bytes long.
 Data: <&#176;Ux&#171;&#172;           > B0 55 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ACAB77EFF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001ACAB7865D0, 16 bytes long.
 Data: < Ux&#171;&#172;           > 88 55 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ACAB785F90, 16 bytes long.
 Data: <`Ux&#171;&#172;           > 60 55 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ACAB786490, 16 bytes long.
 Data: <8Ux&#171;&#172;           > 38 55 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ACAB7863F0, 16 bytes long.
 Data: < Ux&#171;&#172;           > 10 55 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ACAB784920, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001ACAB7863A0, 16 bytes long.
 Data: <X&#241;v&#171;&#172;           > 58 F1 76 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ACAB77E810, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001ACAB786350, 16 bytes long.
 Data: <0&#241;v&#171;&#172;           > 30 F1 76 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ACAB7858B0, 16 bytes long.
 Data: < &#241;v&#171;&#172;           > 08 F1 76 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ACAB785C70, 16 bytes long.
 Data: <&#224;&#240;v&#171;&#172;           > E0 F0 76 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ACAB785B80, 16 bytes long.
 Data: <&#184;&#240;v&#171;&#172;           > B8 F0 76 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ACAB785B30, 16 bytes long.
 Data: < &#240;v&#171;&#172;           > 90 F0 76 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ACAB786030, 16 bytes long.
 Data: <h&#240;v&#171;&#172;           > 68 F0 76 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ACAB77E7B0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{274} normal block at 0x000001ACAB786580, 16 bytes long.
 Data: <@&#240;v&#171;&#172;           > 40 F0 76 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ACAB76F040, 320 bytes long.
 Data: < ex&#171;&#172;   &#176;&#231;w&#171;&#172;   > 80 65 78 AB AC 01 00 00 B0 E7 77 AB AC 01 00 00 
{272} normal block at 0x000001ACAB786530, 16 bytes long.
 Data: <&#240;Tx&#171;&#172;           > F0 54 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001ACAB786300, 16 bytes long.
 Data: <&#200;Tx&#171;&#172;           > C8 54 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ACAB77EED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001ACAB785A40, 16 bytes long.
 Data: <&#160;Tx&#171;&#172;           > A0 54 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ACAB77EE70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001ACAB785C20, 16 bytes long.
 Data: <&#232;Sx&#171;&#172;           > E8 53 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ACAB7862B0, 16 bytes long.
 Data: <&#192;Sx&#171;&#172;           > C0 53 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ACAB785D10, 16 bytes long.
 Data: < Sx&#171;&#172;           > 98 53 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ACAB7859F0, 16 bytes long.
 Data: <pSx&#171;&#172;           > 70 53 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ACAB780100, 16 bytes long.
 Data: <HSx&#171;&#172;           > 48 53 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ACAB77F840, 16 bytes long.
 Data: < Sx&#171;&#172;           > 20 53 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ACAB77F7F0, 16 bytes long.
 Data: < Mx&#171;&#172;           > 80 4D 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ACAB784D80, 40 bytes long.
 Data: <&#240;&#247;w&#171;&#172;    yU&#173;&#172;   > F0 F7 77 AB AC 01 00 00 90 79 55 AD AC 01 00 00 
{258} normal block at 0x000001ACAB77F610, 16 bytes long.
 Data: < Sx&#171;&#172;           > 00 53 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001ACAB77F340, 16 bytes long.
 Data: <&#216;Rx&#171;&#172;           > D8 52 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ACAB77EF90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001ACAB77FD90, 16 bytes long.
 Data: <&#176;Rx&#171;&#172;           > B0 52 78 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001ACAB7852B0, 992 bytes long.
 Data: < &#253;w&#171;&#172;    &#239;w&#171;&#172;   > 90 FD 77 AB AC 01 00 00 90 EF 77 AB AC 01 00 00 
{90} normal block at 0x000001ACAB77F170, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001ACAB77FCF0, 16 bytes long.
 Data: <P&#192;v&#171;&#172;           > 50 C0 76 AB AC 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001ACAB76C050, 40 bytes long.
 Data: <&#240;&#252;w&#171;&#172;   p&#241;w&#171;&#172;   > F0 FC 77 AB AC 01 00 00 70 F1 77 AB AC 01 00 00 
{67} normal block at 0x000001ACAB77F890, 16 bytes long.
 Data: < &#234;+&#214;&#247;           > 80 EA 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ACAB77FAC0, 16 bytes long.
 Data: <@&#233;+&#214;&#247;           > 40 E9 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ACAB7800B0, 16 bytes long.
 Data: <&#248;W(&#214;&#247;           > F8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ACAB77F570, 16 bytes long.
 Data: <&#216;W(&#214;&#247;           > D8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ACAB77F390, 16 bytes long.
 Data: <P (&#214;&#247;           > 50 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ACAB77F430, 16 bytes long.
 Data: <0 (&#214;&#247;           > 30 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ACAB77FFC0, 16 bytes long.
 Data: <&#224; (&#214;&#247;           > E0 02 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ACAB77F660, 16 bytes long.
 Data: <  (&#214;&#247;           > 10 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001ACAB77F750, 16 bytes long.
 Data: <p (&#214;&#247;           > 70 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001ACAB77FE80, 16 bytes long.
 Data: < &#192;&&#214;&#247;           > 18 C0 26 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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