Task 38699037

Name test_562-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND5459_0
Workunit 31639488
Created 3 Nov 2026, 11:43:59 UTC
Sent 3 Nov 2026, 11:44:04 UTC
Report deadline 8 Nov 2026, 11:44:04 UTC
Received 3 Nov 2026, 12:33:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655000
Run time 36 min 58 sec
CPU time 29 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.69 MB
Peak swap size 5.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:56:19 (11780): wrapper (7.9.26016): starting
22:56:19 (11780): 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
22:56:20 (11780): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:56:20 (11780): 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
23:32:47 (11780): C:/Windows/system32/cmd.exe exited; CPU time 1754.640625
23:32:47 (11780): 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: 29655945 bytes.
Dumping objects ->
{3835178} normal block at 0x00000209EC6C1090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x00000209EC6C1020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835156} normal block at 0x00000209EC6C0FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835145} normal block at 0x00000209EC6C0ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835134} normal block at 0x00000209EC6C0D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835103} normal block at 0x00000209EE202BA0, 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) : {3835090} normal block at 0x00000209EC6B6220, 8 bytes long.
 Data: <  h&#236;	   > 00 00 68 EC 09 02 00 00 
{3833941} normal block at 0x00000209EC6B6720, 8 bytes long.
 Data: <0&#170;j&#236;	   > 30 AA 6A EC 09 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x00000209EC6BBCE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000209EC6A61C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x00000209EC6C1B50, 16 bytes long.
 Data: <&#200;:l&#236;	           > C8 3A 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000209EC6C1AB0, 16 bytes long.
 Data: <&#160;:l&#236;	           > A0 3A 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000209EC6BC310, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x00000209EC6C21E0, 16 bytes long.
 Data: <x:l&#236;	           > 78 3A 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000209EC6C1D80, 16 bytes long.
 Data: <P:l&#236;	           > 50 3A 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000209EC6C16F0, 16 bytes long.
 Data: <(:l&#236;	           > 28 3A 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000209EC6C2190, 16 bytes long.
 Data: < :l&#236;	           > 00 3A 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000209EC6C1170, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x00000209EC6C14C0, 16 bytes long.
 Data: <8&#186;j&#236;	           > 38 BA 6A EC 09 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000209EC6BC8B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x00000209EC6C1510, 16 bytes long.
 Data: < &#186;j&#236;	           > 10 BA 6A EC 09 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000209EC6C1600, 16 bytes long.
 Data: <&#232;&#185;j&#236;	           > E8 B9 6A EC 09 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000209EC6C22D0, 16 bytes long.
 Data: <&#192;&#185;j&#236;	           > C0 B9 6A EC 09 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000209EC6C1A10, 16 bytes long.
 Data: < &#185;j&#236;	           > 98 B9 6A EC 09 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000209EC6C20F0, 16 bytes long.
 Data: <p&#185;j&#236;	           > 70 B9 6A EC 09 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000209EC6C1920, 16 bytes long.
 Data: <H&#185;j&#236;	           > 48 B9 6A EC 09 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000209EC6BC1F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x00000209EC6C1E70, 16 bytes long.
 Data: < &#185;j&#236;	           > 20 B9 6A EC 09 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000209EC6AB920, 320 bytes long.
 Data: <p l&#236;	   &#240;&#193;k&#236;	   > 70 1E 6C EC 09 02 00 00 F0 C1 6B EC 09 02 00 00 
{266} normal block at 0x00000209EC6C1CE0, 16 bytes long.
 Data: <&#224;9l&#236;	           > E0 39 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000209EC6C1A60, 16 bytes long.
 Data: <&#184;9l&#236;	           > B8 39 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000209EC6BC730, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x00000209EC6C1470, 16 bytes long.
 Data: < 9l&#236;	           > 90 39 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000209EC6BCA90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x00000209EC6C2280, 16 bytes long.
 Data: <&#216;8l&#236;	           > D8 38 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000209EC6C13D0, 16 bytes long.
 Data: <&#176;8l&#236;	           > B0 38 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000209EC6C1E20, 16 bytes long.
 Data: < 8l&#236;	           > 88 38 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000209EC6C1790, 16 bytes long.
 Data: <`8l&#236;	           > 60 38 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000209EC6C2320, 16 bytes long.
 Data: <88l&#236;	           > 38 38 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000209EC6C1EC0, 16 bytes long.
 Data: < 8l&#236;	           > 10 38 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000209EC6C1FB0, 16 bytes long.
 Data: <` l&#236;	           > 60 0E 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000209EC6C0E60, 40 bytes long.
 Data: <&#176; l&#236;	   &#160;+ &#238;	   > B0 1F 6C EC 09 02 00 00 A0 2B 20 EE 09 02 00 00 
{252} normal block at 0x00000209EC6C19C0, 16 bytes long.
 Data: <&#240;7l&#236;	           > F0 37 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000209EC6C1970, 16 bytes long.
 Data: <&#200;7l&#236;	           > C8 37 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000209EC6BC070, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x00000209EC6C16A0, 16 bytes long.
 Data: <&#160;7l&#236;	           > A0 37 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x00000209EC6C37A0, 992 bytes long.
 Data: <&#160; l&#236;	   p&#192;k&#236;	   > A0 16 6C EC 09 02 00 00 70 C0 6B EC 09 02 00 00 
{84} normal block at 0x00000209EC6BC250, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x00000209EC6B67C0, 16 bytes long.
 Data: <P l&#236;	           > 50 12 6C EC 09 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000209EC6C1250, 40 bytes long.
 Data: <&#192;gk&#236;	   P&#194;k&#236;	   > C0 67 6B EC 09 02 00 00 50 C2 6B EC 09 02 00 00 
{61} normal block at 0x00000209EC6B6450, 16 bytes long.
 Data: < &#234;<v&#247;           > 80 EA 3C 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000209EC6B5BE0, 16 bytes long.
 Data: <@&#233;<v&#247;           > 40 E9 3C 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000209EC6B5EB0, 16 bytes long.
 Data: <&#248;W9v&#247;           > F8 57 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000209EC6B6180, 16 bytes long.
 Data: <&#216;W9v&#247;           > D8 57 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000209EC6B6950, 16 bytes long.
 Data: <P 9v&#247;           > 50 04 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000209EC6B5CD0, 16 bytes long.
 Data: <0 9v&#247;           > 30 04 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000209EC6B5FA0, 16 bytes long.
 Data: <&#224; 9v&#247;           > E0 02 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000209EC6B5DC0, 16 bytes long.
 Data: <  9v&#247;           > 10 04 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000209EC6B6090, 16 bytes long.
 Data: <p 9v&#247;           > 70 04 39 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000209EC6B6AE0, 16 bytes long.
 Data: < &#192;7v&#247;           > 18 C0 37 76 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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