Task 38679341

Name test_635-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6699_0
Workunit 31621117
Created 26 Oct 2026, 20:14:14 UTC
Sent 26 Oct 2026, 20:14:22 UTC
Report deadline 31 Oct 2026, 20:14:22 UTC
Received 26 Oct 2026, 20:46:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606178
Run time 30 min 35 sec
CPU time 29 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.24 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
21:15:31 (7680): wrapper (7.9.26016): starting
21:15:31 (7680): 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
21:15:32 (7680): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:15:32 (7680): 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
21:45:06 (7680): C:/Windows/system32/cmd.exe exited; CPU time 1752.968750
21:45:06 (7680): 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: 35776429 bytes.
Dumping objects ->
{3835262} normal block at 0x00000269AE36B550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x00000269AE36AD70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000269AE36B400, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x00000269AE36B080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000269AE36B7F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x00000269B009C890, 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) : {3835174} normal block at 0x00000269AE33FE90, 8 bytes long.
 Data: <  /&#174;i   > 00 00 2F AE 69 02 00 00 
{3833967} normal block at 0x00000269AE33F710, 8 bytes long.
 Data: <@x &#176;i   > 40 78 0F B0 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000269AE342FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000269AE3378F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000269AE3483D0, 16 bytes long.
 Data: <&#184;&#135;4&#174;i           > B8 87 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000269AE347930, 16 bytes long.
 Data: < &#135;4&#174;i           > 90 87 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000269AE341D50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000269AE347CF0, 16 bytes long.
 Data: <h&#135;4&#174;i           > 68 87 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000269AE347CA0, 16 bytes long.
 Data: <@&#135;4&#174;i           > 40 87 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000269AE3478E0, 16 bytes long.
 Data: < &#135;4&#174;i           > 18 87 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000269AE347C00, 16 bytes long.
 Data: <&#240;&#134;4&#174;i           > F0 86 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000269AE3459D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000269AE347BB0, 16 bytes long.
 Data: <  3&#174;i           > 98 04 33 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000269AE3425F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000269AE347750, 16 bytes long.
 Data: <p 3&#174;i           > 70 04 33 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000269AE347C50, 16 bytes long.
 Data: <H 3&#174;i           > 48 04 33 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000269AE347B10, 16 bytes long.
 Data: <  3&#174;i           > 20 04 33 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000269AE347520, 16 bytes long.
 Data: <&#248; 3&#174;i           > F8 03 33 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000269AE3480B0, 16 bytes long.
 Data: <&#208; 3&#174;i           > D0 03 33 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000269AE347B60, 16 bytes long.
 Data: <&#168; 3&#174;i           > A8 03 33 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000269AE342290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000269AE347AC0, 16 bytes long.
 Data: <  3&#174;i           > 80 03 33 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000269AE330380, 320 bytes long.
 Data: <&#192;z4&#174;i    "4&#174;i   > C0 7A 34 AE 69 02 00 00 90 22 34 AE 69 02 00 00 
{279} normal block at 0x00000269AE347700, 16 bytes long.
 Data: <&#208;&#134;4&#174;i           > D0 86 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000269AE3474D0, 16 bytes long.
 Data: <&#168;&#134;4&#174;i           > A8 86 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000269AE3423B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000269AE347570, 16 bytes long.
 Data: < &#134;4&#174;i           > 80 86 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000269AE341C30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000269AE347A70, 16 bytes long.
 Data: <&#200;&#133;4&#174;i           > C8 85 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000269AE347890, 16 bytes long.
 Data: <&#160;&#133;4&#174;i           > A0 85 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000269AE348100, 16 bytes long.
 Data: <x&#133;4&#174;i           > 78 85 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000269AE347840, 16 bytes long.
 Data: <P&#133;4&#174;i           > 50 85 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000269AE347660, 16 bytes long.
 Data: <(&#133;4&#174;i           > 28 85 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000269AE348380, 16 bytes long.
 Data: < &#133;4&#174;i           > 00 85 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000269AE348060, 16 bytes long.
 Data: < \4&#174;i           > 00 5C 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000269AE345C00, 40 bytes long.
 Data: <` 4&#174;i    &#200;	&#176;i   > 60 80 34 AE 69 02 00 00 90 C8 09 B0 69 02 00 00 
{265} normal block at 0x00000269AE3477F0, 16 bytes long.
 Data: <&#224;&#132;4&#174;i           > E0 84 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000269AE347980, 16 bytes long.
 Data: <&#184;&#132;4&#174;i           > B8 84 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000269AE341C90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000269AE3479D0, 16 bytes long.
 Data: < &#132;4&#174;i           > 90 84 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000269AE348490, 992 bytes long.
 Data: <&#208;y4&#174;i     4&#174;i   > D0 79 34 AE 69 02 00 00 90 1C 34 AE 69 02 00 00 
{97} normal block at 0x00000269AE342110, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000269AE33F940, 16 bytes long.
 Data: <p\4&#174;i           > 70 5C 34 AE 69 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000269AE345C70, 40 bytes long.
 Data: <@&#249;3&#174;i    !4&#174;i   > 40 F9 33 AE 69 02 00 00 10 21 34 AE 69 02 00 00 
{74} normal block at 0x00000269AE33F3F0, 16 bytes long.
 Data: < &#234;&#254;&#199;&#247;           > 80 EA FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000269AE33FA80, 16 bytes long.
 Data: <@&#233;&#254;&#199;&#247;           > 40 E9 FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000269AE340250, 16 bytes long.
 Data: <&#248;W&#251;&#199;&#247;           > F8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000269AE33F8F0, 16 bytes long.
 Data: <&#216;W&#251;&#199;&#247;           > D8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000269AE33F8A0, 16 bytes long.
 Data: <P &#251;&#199;&#247;           > 50 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000269AE33FFD0, 16 bytes long.
 Data: <0 &#251;&#199;&#247;           > 30 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000269AE340020, 16 bytes long.
 Data: <&#224; &#251;&#199;&#247;           > E0 02 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000269AE340110, 16 bytes long.
 Data: <  &#251;&#199;&#247;           > 10 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000269AE33FC10, 16 bytes long.
 Data: <p &#251;&#199;&#247;           > 70 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000269AE33F850, 16 bytes long.
 Data: < &#192;&#249;&#199;&#247;           > 18 C0 F9 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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