Task 38677542

Name test_487-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0553_0
Workunit 31619411
Created 26 Oct 2026, 14:38:27 UTC
Sent 26 Oct 2026, 14:38:33 UTC
Report deadline 31 Oct 2026, 14:38:33 UTC
Received 26 Oct 2026, 16:15:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644627
Run time 1 hours 35 min 39 sec
CPU time 33 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.84 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:40:50 (1436): wrapper (7.9.26016): starting
10:40:50 (1436): 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
10:40:51 (1436): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:40:51 (1436): 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\9\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\9\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
12:15:00 (1436): C:/Windows/system32/cmd.exe exited; CPU time 1980.593750
12:15:00 (1436): 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: 108574041 bytes.
Dumping objects ->
{3835428} normal block at 0x000001E70E3F6970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x000001E70C632FA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835406} normal block at 0x000001E70C632F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835395} normal block at 0x000001E70C632D70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835384} normal block at 0x000001E70C632EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835353} normal block at 0x000001E70E39B520, 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) : {3835340} normal block at 0x000001E70C62E940, 8 bytes long.
 Data: <  &#202; &#231;   > 00 00 CA 0C E7 01 00 00 
{3833959} normal block at 0x000001E70C62E490, 8 bytes long.
 Data: < +D &#231;   > 10 2B 44 0E E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E70C62F130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E70C626370, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001E70C6345E0, 16 bytes long.
 Data: <x7c &#231;           > 78 37 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E70C633E60, 16 bytes long.
 Data: <P7c &#231;           > 50 37 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E70C62DA10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001E70C633DC0, 16 bytes long.
 Data: <(7c &#231;           > 28 37 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E70C633BE0, 16 bytes long.
 Data: < 7c &#231;           > 00 37 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E70C634450, 16 bytes long.
 Data: <&#216;6c &#231;           > D8 36 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E70C633F00, 16 bytes long.
 Data: <&#176;6c &#231;           > B0 36 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E70C6330F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001E70C633C30, 16 bytes long.
 Data: < &#244;a &#231;           > 98 F4 61 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E70C62D9B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001E70C6341D0, 16 bytes long.
 Data: <p&#244;a &#231;           > 70 F4 61 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E70C634360, 16 bytes long.
 Data: <H&#244;a &#231;           > 48 F4 61 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E70C634270, 16 bytes long.
 Data: < &#244;a &#231;           > 20 F4 61 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E70C6338C0, 16 bytes long.
 Data: <&#248;&#243;a &#231;           > F8 F3 61 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E70C6342C0, 16 bytes long.
 Data: <&#208;&#243;a &#231;           > D0 F3 61 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E70C633FA0, 16 bytes long.
 Data: <&#168;&#243;a &#231;           > A8 F3 61 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E70C62D530, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001E70C634180, 16 bytes long.
 Data: < &#243;a &#231;           > 80 F3 61 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E70C61F380, 320 bytes long.
 Data: < Ac &#231;   0&#213;b &#231;   > 80 41 63 0C E7 01 00 00 30 D5 62 0C E7 01 00 00 
{275} normal block at 0x000001E70C6343B0, 16 bytes long.
 Data: < 6c &#231;           > 90 36 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E70C633D70, 16 bytes long.
 Data: <h6c &#231;           > 68 36 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E70C62D6B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001E70C633CD0, 16 bytes long.
 Data: <@6c &#231;           > 40 36 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E70C62D650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001E70C634400, 16 bytes long.
 Data: < 5c &#231;           > 88 35 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E70C633FF0, 16 bytes long.
 Data: <`5c &#231;           > 60 35 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E70C633E10, 16 bytes long.
 Data: <85c &#231;           > 38 35 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E70C633D20, 16 bytes long.
 Data: < 5c &#231;           > 10 35 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E70C633C80, 16 bytes long.
 Data: <&#232;4c &#231;           > E8 34 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E70C62DD60, 16 bytes long.
 Data: <&#192;4c &#231;           > C0 34 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E70C62EA80, 16 bytes long.
 Data: <@2c &#231;           > 40 32 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E70C633240, 40 bytes long.
 Data: < &#234;b &#231;    &#181;9 &#231;   > 80 EA 62 0C E7 01 00 00 20 B5 39 0E E7 01 00 00 
{261} normal block at 0x000001E70C62ECB0, 16 bytes long.
 Data: <&#160;4c &#231;           > A0 34 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E70C62EA30, 16 bytes long.
 Data: <x4c &#231;           > 78 34 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E70C62D5F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001E70C62E2B0, 16 bytes long.
 Data: <P4c &#231;           > 50 34 63 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E70C633450, 992 bytes long.
 Data: <&#176;&#226;b &#231;   &#240;&#213;b &#231;   > B0 E2 62 0C E7 01 00 00 F0 D5 62 0C E7 01 00 00 
{93} normal block at 0x000001E70C62D4D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001E70C62E440, 16 bytes long.
 Data: < &#240;a &#231;           > 80 F0 61 0C E7 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001E70C61F080, 40 bytes long.
 Data: <@&#228;b &#231;   &#208;&#212;b &#231;   > 40 E4 62 0C E7 01 00 00 D0 D4 62 0C E7 01 00 00 
{70} normal block at 0x000001E70C62DEF0, 16 bytes long.
 Data: < &#234;q&#236;&#247;           > 80 EA 71 EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E70C62E670, 16 bytes long.
 Data: <@&#233;q&#236;&#247;           > 40 E9 71 EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E70C62E0D0, 16 bytes long.
 Data: <&#248;Wn&#236;&#247;           > F8 57 6E EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E70C62E080, 16 bytes long.
 Data: <&#216;Wn&#236;&#247;           > D8 57 6E EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E70C62E300, 16 bytes long.
 Data: <P n&#236;&#247;           > 50 04 6E EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E70C62EC10, 16 bytes long.
 Data: <0 n&#236;&#247;           > 30 04 6E EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E70C62DF90, 16 bytes long.
 Data: <&#224; n&#236;&#247;           > E0 02 6E EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E70C62E120, 16 bytes long.
 Data: <  n&#236;&#247;           > 10 04 6E EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E70C62E850, 16 bytes long.
 Data: <p n&#236;&#247;           > 70 04 6E EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E70C62E8A0, 16 bytes long.
 Data: < &#192;l&#236;&#247;           > 18 C0 6C EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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