Task 38688112

Name test_962-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3527_0
Workunit 31629481
Created 28 Oct 2026, 11:46:03 UTC
Sent 28 Oct 2026, 11:46:12 UTC
Report deadline 2 Nov 2026, 11:46:12 UTC
Received 28 Oct 2026, 12:21:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613320
Run time 20 min 59 sec
CPU time 19 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.71 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:59:10 (22968): wrapper (7.9.26016): starting
12:59:10 (22968): 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
12:59:11 (22968): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:59:11 (22968): 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
13:18:51 (22968): C:/Windows/system32/cmd.exe exited; CPU time 1160.343750
13:18:51 (22968): 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: 18217263 bytes.
Dumping objects ->
{3835498} normal block at 0x000002918F7565D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x000002918F756480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x000002918F7566B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835465} normal block at 0x000002918F7568E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835454} normal block at 0x000002918F756B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835423} normal block at 0x00000291915482B0, 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) : {3835410} normal block at 0x000002918F74D430, 8 bytes long.
 Data: <  &#180; &#145;   > 00 00 B4 8F 91 02 00 00 
{3833963} normal block at 0x000002918F74E240, 8 bytes long.
 Data: < J]&#145;&#145;   > 00 4A 5D 91 91 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002918F7517E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002918F746920, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002918F755220, 16 bytes long.
 Data: <8cu &#145;           > 38 63 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002918F754F50, 16 bytes long.
 Data: < cu &#145;           > 10 63 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002918F74F890, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002918F755040, 16 bytes long.
 Data: <&#232;bu &#145;           > E8 62 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002918F754D20, 16 bytes long.
 Data: <&#192;bu &#145;           > C0 62 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002918F754C30, 16 bytes long.
 Data: < bu &#145;           > 98 62 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002918F755630, 16 bytes long.
 Data: <pbu &#145;           > 70 62 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002918F7569C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002918F755090, 16 bytes long.
 Data: <&#232;&#183;s &#145;           > E8 B7 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002918F74FB90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002918F755180, 16 bytes long.
 Data: <&#192;&#183;s &#145;           > C0 B7 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002918F754AF0, 16 bytes long.
 Data: < &#183;s &#145;           > 98 B7 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002918F755680, 16 bytes long.
 Data: <p&#183;s &#145;           > 70 B7 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002918F754EB0, 16 bytes long.
 Data: <H&#183;s &#145;           > 48 B7 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002918F755590, 16 bytes long.
 Data: < &#183;s &#145;           > 20 B7 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002918F755860, 16 bytes long.
 Data: <&#248;&#182;s &#145;           > F8 B6 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002918F74EFF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002918F7559F0, 16 bytes long.
 Data: <&#208;&#182;s &#145;           > D0 B6 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002918F73B6D0, 320 bytes long.
 Data: <&#240;Yu &#145;   &#240;&#239;t &#145;   > F0 59 75 8F 91 02 00 00 F0 EF 74 8F 91 02 00 00 
{277} normal block at 0x000002918F754E60, 16 bytes long.
 Data: <Pbu &#145;           > 50 62 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002918F755540, 16 bytes long.
 Data: <(bu &#145;           > 28 62 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002918F74EF90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002918F755900, 16 bytes long.
 Data: < bu &#145;           > 00 62 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002918F74F3B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002918F754FF0, 16 bytes long.
 Data: <Hau &#145;           > 48 61 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002918F7555E0, 16 bytes long.
 Data: < au &#145;           > 20 61 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002918F755400, 16 bytes long.
 Data: <&#248;`u &#145;           > F8 60 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002918F7558B0, 16 bytes long.
 Data: <&#208;`u &#145;           > D0 60 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002918F755130, 16 bytes long.
 Data: <&#168;`u &#145;           > A8 60 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002918F7557C0, 16 bytes long.
 Data: < `u &#145;           > 80 60 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002918F755450, 16 bytes long.
 Data: <&#192;&#201;s &#145;           > C0 C9 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002918F73C9C0, 40 bytes long.
 Data: <PTu &#145;   &#176;&#130;T&#145;&#145;   > 50 54 75 8F 91 02 00 00 B0 82 54 91 91 02 00 00 
{263} normal block at 0x000002918F7554A0, 16 bytes long.
 Data: <``u &#145;           > 60 60 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002918F7551D0, 16 bytes long.
 Data: <8`u &#145;           > 38 60 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002918F74F530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002918F755810, 16 bytes long.
 Data: < `u &#145;           > 10 60 75 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002918F756010, 992 bytes long.
 Data: < Xu &#145;   0&#245;t &#145;   > 10 58 75 8F 91 02 00 00 30 F5 74 8F 91 02 00 00 
{95} normal block at 0x000002918F74FDD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002918F74DB60, 16 bytes long.
 Data: <&#224;&#218;s &#145;           > E0 DA 73 8F 91 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002918F73DAE0, 40 bytes long.
 Data: <`&#219;t &#145;   &#208;&#253;t &#145;   > 60 DB 74 8F 91 02 00 00 D0 FD 74 8F 91 02 00 00 
{72} normal block at 0x000002918F74D8E0, 16 bytes long.
 Data: < &#234;&#200;=&#247;           > 80 EA C8 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002918F74D390, 16 bytes long.
 Data: <@&#233;&#200;=&#247;           > 40 E9 C8 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002918F74D7F0, 16 bytes long.
 Data: <&#248;W&#197;=&#247;           > F8 57 C5 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002918F74DCA0, 16 bytes long.
 Data: <&#216;W&#197;=&#247;           > D8 57 C5 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002918F74D890, 16 bytes long.
 Data: <P &#197;=&#247;           > 50 04 C5 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002918F74DF70, 16 bytes long.
 Data: <0 &#197;=&#247;           > 30 04 C5 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002918F74D9D0, 16 bytes long.
 Data: <&#224; &#197;=&#247;           > E0 02 C5 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002918F74E010, 16 bytes long.
 Data: <  &#197;=&#247;           > 10 04 C5 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002918F74E290, 16 bytes long.
 Data: <p &#197;=&#247;           > 70 04 C5 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002918F74DB10, 16 bytes long.
 Data: < &#192;&#195;=&#247;           > 18 C0 C3 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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