Task 38698830

Name test_686-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9541_1
Workunit 31631468
Created 3 Nov 2026, 4:04:31 UTC
Sent 3 Nov 2026, 4:04:33 UTC
Report deadline 8 Nov 2026, 4:04:33 UTC
Received 3 Nov 2026, 4:33:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 555103
Run time 24 min 2 sec
CPU time 24 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,279.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.90 MB
Peak swap size 9.81 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:09:50 (16744): wrapper (7.9.26016): starting
22:09:50 (16744): 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
22:09:51 (16744): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:09:51 (16744): 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
22:32:49 (16744): C:/Windows/system32/cmd.exe exited; CPU time 1442.031250
22:32:49 (16744): 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: 21525769 bytes.
Dumping objects ->
{3835199} normal block at 0x000001199E350AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x000001199E350CA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x000001199E350C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835166} normal block at 0x000001199E350BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x000001199E3508B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835124} normal block at 0x000001199E4000F0, 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) : {3835111} normal block at 0x000001199C6DB7F0, 8 bytes long.
 Data: <  g&#156;    > 00 00 67 9C 19 01 00 00 
{3833953} normal block at 0x000001199C6DBE30, 8 bytes long.
 Data: <0&#199;5&#158;    > 30 C7 35 9E 19 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001199C6E5500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001199C6CBA10, 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 0x000001199C6E6A90, 16 bytes long.
 Data: <x|n&#156;            > 78 7C 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001199C6E74E0, 16 bytes long.
 Data: <P|n&#156;            > 50 7C 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001199C6E0E10, 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 0x000001199C6E7300, 16 bytes long.
 Data: <(|n&#156;            > 28 7C 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001199C6E68B0, 16 bytes long.
 Data: < |n&#156;            > 00 7C 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001199C6E72B0, 16 bytes long.
 Data: <&#216;{n&#156;            > D8 7B 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001199C6E6B30, 16 bytes long.
 Data: <&#176;{n&#156;            > B0 7B 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001199C6E26B0, 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 0x000001199C6E7210, 16 bytes long.
 Data: <&#248;&#250;l&#156;            > F8 FA 6C 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001199C6E06F0, 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 0x000001199C6E6F40, 16 bytes long.
 Data: <&#208;&#250;l&#156;            > D0 FA 6C 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001199C6E7490, 16 bytes long.
 Data: <&#168;&#250;l&#156;            > A8 FA 6C 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001199C6E6C70, 16 bytes long.
 Data: < &#250;l&#156;            > 80 FA 6C 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001199C6E6D60, 16 bytes long.
 Data: <X&#250;l&#156;            > 58 FA 6C 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001199C6E7120, 16 bytes long.
 Data: <0&#250;l&#156;            > 30 FA 6C 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001199C6E70D0, 16 bytes long.
 Data: < &#250;l&#156;            > 08 FA 6C 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001199C6E0C90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001199C6E6D10, 16 bytes long.
 Data: <&#224;&#249;l&#156;            > E0 F9 6C 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001199C6CF9E0, 320 bytes long.
 Data: < mn&#156;      n&#156;    > 10 6D 6E 9C 19 01 00 00 90 0C 6E 9C 19 01 00 00 
{272} normal block at 0x000001199C6E6EF0, 16 bytes long.
 Data: < {n&#156;            > 90 7B 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001199C6E6720, 16 bytes long.
 Data: <h{n&#156;            > 68 7B 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001199C6E0BD0, 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 0x000001199C6E66D0, 16 bytes long.
 Data: <@{n&#156;            > 40 7B 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001199C6E05D0, 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 0x000001199C6E65E0, 16 bytes long.
 Data: < zn&#156;            > 88 7A 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001199C6E69F0, 16 bytes long.
 Data: <`zn&#156;            > 60 7A 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001199C6E6F90, 16 bytes long.
 Data: <8zn&#156;            > 38 7A 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001199C6E73A0, 16 bytes long.
 Data: < zn&#156;            > 10 7A 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001199C6E6FE0, 16 bytes long.
 Data: <&#232;yn&#156;            > E8 79 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001199C6E6C20, 16 bytes long.
 Data: <&#192;yn&#156;            > C0 79 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001199C6E6BD0, 16 bytes long.
 Data: <&#224;(n&#156;            > E0 28 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001199C6E28E0, 40 bytes long.
 Data: <&#208;kn&#156;    &#240; @&#158;    > D0 6B 6E 9C 19 01 00 00 F0 00 40 9E 19 01 00 00 
{258} normal block at 0x000001199C6E71C0, 16 bytes long.
 Data: <&#160;yn&#156;            > A0 79 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001199C6E7440, 16 bytes long.
 Data: <xyn&#156;            > 78 79 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001199C6E0AB0, 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 0x000001199C6E7030, 16 bytes long.
 Data: <Pyn&#156;            > 50 79 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001199C6E7950, 992 bytes long.
 Data: <0pn&#156;    &#176; n&#156;    > 30 70 6E 9C 19 01 00 00 B0 0A 6E 9C 19 01 00 00 
{90} normal block at 0x000001199C6E0ED0, 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 0x000001199C6DB890, 16 bytes long.
 Data: <@&n&#156;            > 40 26 6E 9C 19 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001199C6E2640, 40 bytes long.
 Data: < &#184;m&#156;    &#208; n&#156;    > 90 B8 6D 9C 19 01 00 00 D0 0E 6E 9C 19 01 00 00 
{67} normal block at 0x000001199C6DBAC0, 16 bytes long.
 Data: < &#234;Tq&#247;           > 80 EA 54 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001199C6DC290, 16 bytes long.
 Data: <@&#233;Tq&#247;           > 40 E9 54 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001199C6DBFC0, 16 bytes long.
 Data: <&#248;WQq&#247;           > F8 57 51 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001199C6DB840, 16 bytes long.
 Data: <&#216;WQq&#247;           > D8 57 51 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001199C6DBA70, 16 bytes long.
 Data: <P Qq&#247;           > 50 04 51 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001199C6DC5B0, 16 bytes long.
 Data: <0 Qq&#247;           > 30 04 51 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001199C6DBF70, 16 bytes long.
 Data: <&#224; Qq&#247;           > E0 02 51 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001199C6DBCF0, 16 bytes long.
 Data: <  Qq&#247;           > 10 04 51 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001199C6DBDE0, 16 bytes long.
 Data: <p Qq&#247;           > 70 04 51 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001199C6DBA20, 16 bytes long.
 Data: < &#192;Oq&#247;           > 18 C0 4F 71 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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