Task 38672336

Name test_559-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND4092_0
Workunit 31614487
Created 25 Oct 2026, 23:07:33 UTC
Sent 25 Oct 2026, 23:07:36 UTC
Report deadline 30 Oct 2026, 23:07:36 UTC
Received 26 Oct 2026, 0:00:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654845
Run time 26 min 2 sec
CPU time 19 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.79 MB
Peak swap size 1.67 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:34:22 (11780): wrapper (7.9.26016): starting
01:34:22 (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
01:34:23 (11780): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:34:23 (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 'D:\ProgramData\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 'D:\ProgramData\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
01:58:33 (11780): C:/Windows/system32/cmd.exe exited; CPU time 1196.171875
01:58:33 (11780): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 17789113 bytes.
Dumping objects ->
{3835468} normal block at 0x000001D17EB87900, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001D17EB872E0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000001D17EB87AC0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835435} normal block at 0x000001D17CFACC90, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835424} normal block at 0x000001D17CFACAD0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835393} normal block at 0x000001D17EA9CB10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x000001D17EA10570, 160 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) : {3835379} normal block at 0x000001D17CFA84B0, 8 bytes long.
 Data: <  &#242;|&#209;   > 00 00 F2 7C D1 01 00 00 
{3834658} normal block at 0x000001D17EA10490, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001D17CFA8230, 8 bytes long.
 Data: <@d&#184;~&#209;   > 40 64 B8 7E D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001D17CFB1580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D17CF9ACF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001D17CFB2930, 16 bytes long.
 Data: < I&#251;|&#209;           > 08 49 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D17CFB2F70, 16 bytes long.
 Data: <&#224;H&#251;|&#209;           > E0 48 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D17CFADC30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001D17CFB2B10, 16 bytes long.
 Data: <&#184;H&#251;|&#209;           > B8 48 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D17CFB2700, 16 bytes long.
 Data: < H&#251;|&#209;           > 90 48 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D17CFB26B0, 16 bytes long.
 Data: <hH&#251;|&#209;           > 68 48 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D17CFB3560, 16 bytes long.
 Data: <@H&#251;|&#209;           > 40 48 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D17CFAC830, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001D17CFB2F20, 16 bytes long.
 Data: <&#232;&#217;&#250;|&#209;           > E8 D9 FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D17CFAE3B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001D17CFB3470, 16 bytes long.
 Data: <&#192;&#217;&#250;|&#209;           > C0 D9 FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D17CFB33D0, 16 bytes long.
 Data: < &#217;&#250;|&#209;           > 98 D9 FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D17CFB2D90, 16 bytes long.
 Data: <p&#217;&#250;|&#209;           > 70 D9 FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D17CFB3100, 16 bytes long.
 Data: <H&#217;&#250;|&#209;           > 48 D9 FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D17CFB31F0, 16 bytes long.
 Data: < &#217;&#250;|&#209;           > 20 D9 FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D17CFB2C00, 16 bytes long.
 Data: <&#248;&#216;&#250;|&#209;           > F8 D8 FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D17CFADB10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001D17CFB2BB0, 16 bytes long.
 Data: <&#208;&#216;&#250;|&#209;           > D0 D8 FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D17CFAD8D0, 320 bytes long.
 Data: <&#176;+&#251;|&#209;    &#219;&#250;|&#209;   > B0 2B FB 7C D1 01 00 00 10 DB FA 7C D1 01 00 00 
{269} normal block at 0x000001D17CFB3420, 16 bytes long.
 Data: < H&#251;|&#209;           > 20 48 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D17CFB2D40, 16 bytes long.
 Data: <&#248;G&#251;|&#209;           > F8 47 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D17CFAE6B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001D17CFB2CF0, 16 bytes long.
 Data: <&#208;G&#251;|&#209;           > D0 47 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D17CFADBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001D17CFB28E0, 16 bytes long.
 Data: < G&#251;|&#209;           > 18 47 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D17CFB2890, 16 bytes long.
 Data: <&#240;F&#251;|&#209;           > F0 46 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D17CFB2CA0, 16 bytes long.
 Data: <&#200;F&#251;|&#209;           > C8 46 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D17CFB2ED0, 16 bytes long.
 Data: <&#160;F&#251;|&#209;           > A0 46 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D17CFB3240, 16 bytes long.
 Data: <xF&#251;|&#209;           > 78 46 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D17CFB34C0, 16 bytes long.
 Data: <PF&#251;|&#209;           > 50 46 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D17CFB3380, 16 bytes long.
 Data: <&#160;&#200;&#250;|&#209;           > A0 C8 FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D17CFAC8A0, 40 bytes long.
 Data: < 3&#251;|&#209;    &#203;&#169;~&#209;   > 80 33 FB 7C D1 01 00 00 10 CB A9 7E D1 01 00 00 
{255} normal block at 0x000001D17CFB2E80, 16 bytes long.
 Data: <0F&#251;|&#209;           > 30 46 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D17CFB3290, 16 bytes long.
 Data: < F&#251;|&#209;           > 08 46 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001D17CFAE650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001D17CFB30B0, 16 bytes long.
 Data: <&#224;E&#251;|&#209;           > E0 45 FB 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D17CFB45E0, 992 bytes long.
 Data: <&#176;0&#251;|&#209;   P&#230;&#250;|&#209;   > B0 30 FB 7C D1 01 00 00 50 E6 FA 7C D1 01 00 00 
{87} normal block at 0x000001D17CFAE110, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001D17CFA7AB0, 16 bytes long.
 Data: < &#205;&#250;|&#209;           > 00 CD FA 7C D1 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001D17CFACD00, 40 bytes long.
 Data: <&#176;z&#250;|&#209;    &#225;&#250;|&#209;   > B0 7A FA 7C D1 01 00 00 10 E1 FA 7C D1 01 00 00 
{64} normal block at 0x000001D17CFA7F10, 16 bytes long.
 Data: < &#234;3&#174;&#247;           > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D17CFA7970, 16 bytes long.
 Data: <@&#233;3&#174;&#247;           > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D17CFA7FB0, 16 bytes long.
 Data: <&#248;W0&#174;&#247;           > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D17CFA88C0, 16 bytes long.
 Data: <&#216;W0&#174;&#247;           > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D17CFA8870, 16 bytes long.
 Data: <P 0&#174;&#247;           > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D17CFA8780, 16 bytes long.
 Data: <0 0&#174;&#247;           > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D17CFA82D0, 16 bytes long.
 Data: <&#224; 0&#174;&#247;           > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D17CFA7DD0, 16 bytes long.
 Data: <  0&#174;&#247;           > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D17CFA7CE0, 16 bytes long.
 Data: <p 0&#174;&#247;           > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D17CFA8730, 16 bytes long.
 Data: < &#192;.&#174;&#247;           > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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