Task 38685967

Name test_388-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2507_0
Workunit 31627419
Created 27 Oct 2026, 23:55:31 UTC
Sent 27 Oct 2026, 23:55:33 UTC
Report deadline 1 Nov 2026, 23:55:33 UTC
Received 28 Oct 2026, 0:28:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 31 min 18 sec
CPU time 26 min 41 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 692.18 MB
Peak swap size 3.93 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:58:28 (7344): wrapper (7.9.26016): starting
16:58:28 (7344): 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
16:58:30 (7344): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:58:30 (7344): 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\4\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\4\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
17:27:32 (7344): C:/Windows/system32/cmd.exe exited; CPU time 1601.656250
17:27:32 (7344): 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: 21075777 bytes.
Dumping objects ->
{3835275} normal block at 0x000001AF51C78F20, 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 0x000001AF5005B750, 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 0x000001AF5005BDE0, 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 0x000001AF5005C390, 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 0x000001AF5005C1D0, 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 0x000001AF51C79AA0, 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 0x000001AF51CCD3E0, 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 0x000001AF500336B0, 8 bytes long.
 Data: <   P&#175;   > 00 00 00 50 AF 01 00 00 
{3834579} normal block at 0x000001AF51CCCC50, 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 0x000001AF50032B20, 8 bytes long.
 Data: <&#240;&#191;&#204;Q&#175;   > F0 BF CC 51 AF 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001AF50034C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001AF5001FF30, 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 0x000001AF50039000, 16 bytes long.
 Data: <8&#148; P&#175;           > 38 94 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001AF50038D30, 16 bytes long.
 Data: < &#148; P&#175;           > 10 94 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001AF50030350, 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 0x000001AF50038330, 16 bytes long.
 Data: <&#232;&#147; P&#175;           > E8 93 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001AF50038740, 16 bytes long.
 Data: <&#192;&#147; P&#175;           > C0 93 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001AF50038420, 16 bytes long.
 Data: < &#147; P&#175;           > 98 93 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001AF50038C90, 16 bytes long.
 Data: <p&#147; P&#175;           > 70 93 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001AF50030CE0, 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 0x000001AF50038290, 16 bytes long.
 Data: < " P&#175;           > 88 22 02 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001AF50030110, 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 0x000001AF50038E20, 16 bytes long.
 Data: <`" P&#175;           > 60 22 02 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001AF500382E0, 16 bytes long.
 Data: <8" P&#175;           > 38 22 02 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AF50038C40, 16 bytes long.
 Data: < " P&#175;           > 10 22 02 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AF500390A0, 16 bytes long.
 Data: <&#232;! P&#175;           > E8 21 02 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AF50038FB0, 16 bytes long.
 Data: <&#192;! P&#175;           > C0 21 02 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AF50038A10, 16 bytes long.
 Data: < ! P&#175;           > 98 21 02 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AF5002F870, 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 0x000001AF500386F0, 16 bytes long.
 Data: <p! P&#175;           > 70 21 02 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AF50022170, 320 bytes long.
 Data: <&#240;&#134; P&#175;   p&#248; P&#175;   > F0 86 03 50 AF 01 00 00 70 F8 02 50 AF 01 00 00 
{290} normal block at 0x000001AF50038970, 16 bytes long.
 Data: <P&#147; P&#175;           > 50 93 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AF50038BF0, 16 bytes long.
 Data: <(&#147; P&#175;           > 28 93 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AF5002F750, 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 0x000001AF50038DD0, 16 bytes long.
 Data: < &#147; P&#175;           > 00 93 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AF500303B0, 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 0x000001AF50038920, 16 bytes long.
 Data: <H&#146; P&#175;           > 48 92 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AF50038BA0, 16 bytes long.
 Data: < &#146; P&#175;           > 20 92 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AF500386A0, 16 bytes long.
 Data: <&#248;&#145; P&#175;           > F8 91 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AF500387E0, 16 bytes long.
 Data: <&#208;&#145; P&#175;           > D0 91 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AF50038150, 16 bytes long.
 Data: <&#168;&#145; P&#175;           > A8 91 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AF50038880, 16 bytes long.
 Data: < &#145; P&#175;           > 80 91 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AF500381F0, 16 bytes long.
 Data: <&#176;  P&#175;           > B0 0A 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AF50030AB0, 40 bytes long.
 Data: <&#240;  P&#175;   &#160;&#154;&#199;Q&#175;   > F0 81 03 50 AF 01 00 00 A0 9A C7 51 AF 01 00 00 
{276} normal block at 0x000001AF50038650, 16 bytes long.
 Data: <`&#145; P&#175;           > 60 91 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AF50038600, 16 bytes long.
 Data: <8&#145; P&#175;           > 38 91 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AF50030050, 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 0x000001AF50038B50, 16 bytes long.
 Data: < &#145; P&#175;           > 10 91 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AF50039110, 992 bytes long.
 Data: <P&#139; P&#175;   P  P&#175;   > 50 8B 03 50 AF 01 00 00 50 00 03 50 AF 01 00 00 
{108} normal block at 0x000001AF5002F7B0, 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 0x000001AF500328F0, 16 bytes long.
 Data: <&#192;  P&#175;           > C0 06 03 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001AF500306C0, 40 bytes long.
 Data: <&#240;( P&#175;   &#176;&#247; P&#175;   > F0 28 03 50 AF 01 00 00 B0 F7 02 50 AF 01 00 00 
{85} normal block at 0x000001AF50032CB0, 16 bytes long.
 Data: < &#234;&#200;&#204;&#247;           > 80 EA C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001AF50032E40, 16 bytes long.
 Data: <@&#233;&#200;&#204;&#247;           > 40 E9 C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001AF50033020, 16 bytes long.
 Data: <&#248;W&#197;&#204;&#247;           > F8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001AF50032DF0, 16 bytes long.
 Data: <&#216;W&#197;&#204;&#247;           > D8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001AF500333E0, 16 bytes long.
 Data: <P &#197;&#204;&#247;           > 50 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001AF50033610, 16 bytes long.
 Data: <0 &#197;&#204;&#247;           > 30 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001AF50033390, 16 bytes long.
 Data: <&#224; &#197;&#204;&#247;           > E0 02 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001AF50033200, 16 bytes long.
 Data: <  &#197;&#204;&#247;           > 10 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001AF500329E0, 16 bytes long.
 Data: <p &#197;&#204;&#247;           > 70 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001AF500335C0, 16 bytes long.
 Data: < &#192;&#195;&#204;&#247;           > 18 C0 C3 CC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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