Task 38696306

Name test_817-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND3725_0
Workunit 31636947
Created 31 Oct 2026, 21:57:40 UTC
Sent 31 Oct 2026, 21:57:48 UTC
Report deadline 5 Nov 2026, 21:57:48 UTC
Received 1 Nov 2026, 1:21:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 51 min 20 sec
CPU time 48 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.14 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
01:08:50 (13572): wrapper (7.9.26016): starting
01:08:50 (13572): 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
01:08:51 (13572): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:08:51 (13572): 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:\boinc\slots\1\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:\boinc\slots\1\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
01:58:11 (13572): C:/Windows/system32/cmd.exe exited; CPU time 2939.140625
01:58:11 (13572): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 49914597 bytes.
Dumping objects ->
{3835301} normal block at 0x000001FFABAF6830, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835290} normal block at 0x000001FFAD92BA70, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835279} normal block at 0x000001FFAD92ACF0, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835268} normal block at 0x000001FFAD92A810, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835257} normal block at 0x000001FFAD92AE10, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835226} normal block at 0x000001FFABAF67C0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835215} normal block at 0x000001FFAD8F2090, 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) : {3835212} normal block at 0x000001FFABAF10B0, 8 bytes long.
 Data: <   &#172;&#255;   > 00 00 17 AC FF 01 00 00 
{3834573} normal block at 0x000001FFAD8F1FE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001FFABAF0B10, 8 bytes long.
 Data: < &#245;&#150;&#173;&#255;   > 10 F5 96 AD FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001FFABAE6950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FFABAE7B80, 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 0x000001FFABAF7E50, 16 bytes long.
 Data: < s&#175;&#171;&#255;           > 08 73 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FFABAF78B0, 16 bytes long.
 Data: <&#224;r&#175;&#171;&#255;           > E0 72 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FFABAEFA10, 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 0x000001FFABAF7CC0, 16 bytes long.
 Data: <&#184;r&#175;&#171;&#255;           > B8 72 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FFABAF7900, 16 bytes long.
 Data: < r&#175;&#171;&#255;           > 90 72 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FFABAF7C70, 16 bytes long.
 Data: <hr&#175;&#171;&#255;           > 68 72 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FFABAF7950, 16 bytes long.
 Data: <@r&#175;&#171;&#255;           > 40 72 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FFABAF6AD0, 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 0x000001FFABAF7680, 16 bytes long.
 Data: < &#245;&#174;&#171;&#255;           > 18 F5 AE AB FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FFABAF04F0, 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 0x000001FFABAF8350, 16 bytes long.
 Data: <&#240;&#244;&#174;&#171;&#255;           > F0 F4 AE AB FF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FFABAF74F0, 16 bytes long.
 Data: <&#200;&#244;&#174;&#171;&#255;           > C8 F4 AE AB FF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FFABAF8260, 16 bytes long.
 Data: <&#160;&#244;&#174;&#171;&#255;           > A0 F4 AE AB FF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FFABAF7FE0, 16 bytes long.
 Data: <x&#244;&#174;&#171;&#255;           > 78 F4 AE AB FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FFABAF7B30, 16 bytes long.
 Data: <P&#244;&#174;&#171;&#255;           > 50 F4 AE AB FF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FFABAF7630, 16 bytes long.
 Data: <(&#244;&#174;&#171;&#255;           > 28 F4 AE AB FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FFABAEF8F0, 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 0x000001FFABAF7AE0, 16 bytes long.
 Data: < &#244;&#174;&#171;&#255;           > 00 F4 AE AB FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FFABAEF400, 320 bytes long.
 Data: <&#224;z&#175;&#171;&#255;   &#240;&#248;&#174;&#171;&#255;   > E0 7A AF AB FF 01 00 00 F0 F8 AE AB FF 01 00 00 
{266} normal block at 0x000001FFABAF7540, 16 bytes long.
 Data: < r&#175;&#171;&#255;           > 20 72 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FFABAF81C0, 16 bytes long.
 Data: <&#248;q&#175;&#171;&#255;           > F8 71 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FFABAEFA70, 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 0x000001FFABAF7450, 16 bytes long.
 Data: <&#208;q&#175;&#171;&#255;           > D0 71 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FFABAEF950, 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 0x000001FFABAF7E00, 16 bytes long.
 Data: < q&#175;&#171;&#255;           > 18 71 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FFABAF7720, 16 bytes long.
 Data: <&#240;p&#175;&#171;&#255;           > F0 70 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FFABAF77C0, 16 bytes long.
 Data: <&#200;p&#175;&#171;&#255;           > C8 70 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FFABAF7EF0, 16 bytes long.
 Data: <&#160;p&#175;&#171;&#255;           > A0 70 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FFABAF1330, 16 bytes long.
 Data: <xp&#175;&#171;&#255;           > 78 70 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FFABAF0DE0, 16 bytes long.
 Data: <Pp&#175;&#171;&#255;           > 50 70 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FFABAF0AC0, 16 bytes long.
 Data: < l&#175;&#171;&#255;           > 20 6C AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FFABAF6C20, 40 bytes long.
 Data: <&#192; &#175;&#171;&#255;   &#192;g&#175;&#171;&#255;   > C0 0A AF AB FF 01 00 00 C0 67 AF AB FF 01 00 00 
{252} normal block at 0x000001FFABAF1100, 16 bytes long.
 Data: <0p&#175;&#171;&#255;           > 30 70 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001FFABAF09D0, 16 bytes long.
 Data: < p&#175;&#171;&#255;           > 08 70 AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001FFABAEF650, 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 0x000001FFABAF0980, 16 bytes long.
 Data: <&#224;o&#175;&#171;&#255;           > E0 6F AF AB FF 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001FFABAF6FE0, 992 bytes long.
 Data: < 	&#175;&#171;&#255;   P&#246;&#174;&#171;&#255;   > 80 09 AF AB FF 01 00 00 50 F6 AE AB FF 01 00 00 
{84} normal block at 0x000001FFABAEF6B0, 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 0x000001FFABAF1150, 16 bytes long.
 Data: <&#208;&#218;&#173;&#171;&#255;           > D0 DA AD AB FF 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001FFABADDAD0, 40 bytes long.
 Data: <P &#175;&#171;&#255;   &#176;&#246;&#174;&#171;&#255;   > 50 11 AF AB FF 01 00 00 B0 F6 AE AB FF 01 00 00 
{61} normal block at 0x000001FFABAF1380, 16 bytes long.
 Data: < &#234;&#215;&#194;&#247;           > 80 EA D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FFABAF0700, 16 bytes long.
 Data: <@&#233;&#215;&#194;&#247;           > 40 E9 D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FFABAF11F0, 16 bytes long.
 Data: <&#248;W&#212;&#194;&#247;           > F8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FFABAF0C50, 16 bytes long.
 Data: <&#216;W&#212;&#194;&#247;           > D8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FFABAF0CF0, 16 bytes long.
 Data: <P &#212;&#194;&#247;           > 50 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FFABAF0890, 16 bytes long.
 Data: <0 &#212;&#194;&#247;           > 30 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FFABAF0930, 16 bytes long.
 Data: <&#224; &#212;&#194;&#247;           > E0 02 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001FFABAF14C0, 16 bytes long.
 Data: <  &#212;&#194;&#247;           > 10 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001FFABAF0D40, 16 bytes long.
 Data: <p &#212;&#194;&#247;           > 70 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001FFABAF0750, 16 bytes long.
 Data: < &#192;&#210;&#194;&#247;           > 18 C0 D2 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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