Task 38673644

Name test_192-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2094_1
Workunit 31614879
Created 26 Oct 2026, 3:01:17 UTC
Sent 26 Oct 2026, 3:01:26 UTC
Report deadline 31 Oct 2026, 3:01:26 UTC
Received 26 Oct 2026, 3:33:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 31 min 2 sec
CPU time 26 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.00 MB
Peak swap size 3.94 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:03:40 (64056): wrapper (7.9.26016): starting
20:03:40 (64056): 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
20:03:42 (64056): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:03:42 (64056): 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 'D:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\3\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 'D:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\3\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
20:32:51 (64056): C:/Windows/system32/cmd.exe exited; CPU time 1604.515625
20:32:51 (64056): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 bytes in 8 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: 22178429 bytes.
Dumping objects ->
{3835275} normal block at 0x000001BF81E4B360, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835264} normal block at 0x000001BF8022AA90, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835253} normal block at 0x000001BF8022AD30, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3835242} normal block at 0x000001BF8022A5C0, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835231} normal block at 0x000001BF8022ADA0, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3835200} normal block at 0x000001BF81E4A7E0, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835189} normal block at 0x000001BF81E60930, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835186} normal block at 0x000001BF80201F50, 8 bytes long.
 Data: <  T &#191;   > 00 00 54 80 BF 01 00 00 
{3834579} normal block at 0x000001BF81E60D50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x000001BF80201B40, 8 bytes long.
 Data: < Q&#221; &#191;   > 90 51 DD 81 BF 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001BF80203870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001BF801EFE80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000001BF80207740, 16 bytes long.
 Data: <&#168;&#130;  &#191;           > A8 82 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001BF80207330, 16 bytes long.
 Data: < &#130;  &#191;           > 80 82 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001BF801FEBD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000001BF80207CE0, 16 bytes long.
 Data: <X&#130;  &#191;           > 58 82 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001BF80207C90, 16 bytes long.
 Data: <0&#130;  &#191;           > 30 82 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001BF80207150, 16 bytes long.
 Data: < &#130;  &#191;           > 08 82 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001BF80207BF0, 16 bytes long.
 Data: <&#224;   &#191;           > E0 81 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001BF801FF610, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000001BF802079C0, 16 bytes long.
 Data: <    &#191;           > 18 1A 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001BF801FEB10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000001BF802070B0, 16 bytes long.
 Data: <&#240;   &#191;           > F0 19 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001BF802076F0, 16 bytes long.
 Data: <&#200;   &#191;           > C8 19 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BF80207920, 16 bytes long.
 Data: <&#160;   &#191;           > A0 19 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BF802072E0, 16 bytes long.
 Data: <x   &#191;           > 78 19 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BF80207D80, 16 bytes long.
 Data: <P   &#191;           > 50 19 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BF80207D30, 16 bytes long.
 Data: <(   &#191;           > 28 19 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BF801FF050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x000001BF80207B00, 16 bytes long.
 Data: <    &#191;           > 00 19 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BF801F1900, 320 bytes long.
 Data: < {  &#191;   P&#240;  &#191;   > 00 7B 20 80 BF 01 00 00 50 F0 1F 80 BF 01 00 00 
{290} normal block at 0x000001BF80207BA0, 16 bytes long.
 Data: <&#192;   &#191;           > C0 81 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BF80207AB0, 16 bytes long.
 Data: <    &#191;           > 98 81 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BF801FEAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000001BF80207060, 16 bytes long.
 Data: <p   &#191;           > 70 81 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BF801FF3B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000001BF80207F10, 16 bytes long.
 Data: <&#184;   &#191;           > B8 80 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BF80207EC0, 16 bytes long.
 Data: <    &#191;           > 90 80 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BF80207A10, 16 bytes long.
 Data: <h   &#191;           > 68 80 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BF80207B50, 16 bytes long.
 Data: <@   &#191;           > 40 80 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BF80207010, 16 bytes long.
 Data: <    &#191;           > 18 80 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BF80207240, 16 bytes long.
 Data: <&#240;   &#191;           > F0 7F 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BF802071F0, 16 bytes long.
 Data: <&#240;&#246;  &#191;           > F0 F6 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BF801FF6F0, 40 bytes long.
 Data: <&#240;q  &#191;   &#224;&#167;&#228; &#191;   > F0 71 20 80 BF 01 00 00 E0 A7 E4 81 BF 01 00 00 
{276} normal block at 0x000001BF802078D0, 16 bytes long.
 Data: <&#208;   &#191;           > D0 7F 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BF80207C40, 16 bytes long.
 Data: <&#168;   &#191;           > A8 7F 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BF801FE690, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000001BF80207A60, 16 bytes long.
 Data: <    &#191;           > 80 7F 20 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BF80207F80, 992 bytes long.
 Data: <`z  &#191;    &#230;  &#191;   > 60 7A 20 80 BF 01 00 00 90 E6 1F 80 BF 01 00 00 
{108} normal block at 0x000001BF801FEA50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000001BF80201F00, 16 bytes long.
 Data: <&#224;&#250;  &#191;           > E0 FA 1F 80 BF 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001BF801FFAE0, 40 bytes long.
 Data: <    &#191;   P&#234;  &#191;   > 00 1F 20 80 BF 01 00 00 50 EA 1F 80 BF 01 00 00 
{85} normal block at 0x000001BF80201EB0, 16 bytes long.
 Data: < &#234;&#195;V&#247;           > 80 EA C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001BF80201DC0, 16 bytes long.
 Data: <@&#233;&#195;V&#247;           > 40 E9 C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001BF80202220, 16 bytes long.
 Data: <&#248;W&#192;V&#247;           > F8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001BF80202360, 16 bytes long.
 Data: <&#216;W&#192;V&#247;           > D8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001BF802021D0, 16 bytes long.
 Data: <P &#192;V&#247;           > 50 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001BF80202180, 16 bytes long.
 Data: <0 &#192;V&#247;           > 30 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001BF80201AF0, 16 bytes long.
 Data: <&#224; &#192;V&#247;           > E0 02 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001BF80201D70, 16 bytes long.
 Data: <  &#192;V&#247;           > 10 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001BF80201A00, 16 bytes long.
 Data: <p &#192;V&#247;           > 70 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001BF802020E0, 16 bytes long.
 Data: < &#192;&#190;V&#247;           > 18 C0 BE 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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