Task 38695858

Name test_562-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5459_0
Workunit 31636533
Created 31 Oct 2026, 16:20:31 UTC
Sent 31 Oct 2026, 16:20:36 UTC
Report deadline 5 Nov 2026, 16:20:36 UTC
Received 31 Oct 2026, 16:59:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592673
Run time 35 min 43 sec
CPU time 29 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.82 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:24:01 (16668): wrapper (7.9.26016): starting
17:24:01 (16668): 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
17:24:03 (16668): Library/usr/bin/tar.exe exited; CPU time 0.046875
17:24:03 (16668): 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\5\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\5\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
17:57:00 (16668): C:/Windows/system32/cmd.exe exited; CPU time 1787.843750
17:57:00 (16668): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25232725 bytes.
Dumping objects ->
{3835327} normal block at 0x000001D4F5FD4300, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835316} normal block at 0x000001D4F5FD48B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835305} normal block at 0x000001D4F5FD41B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835294} normal block at 0x000001D4F5FD4140, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x000001D4F5FD4530, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835252} normal block at 0x000001D4F7B23FF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x000001D4F5FA86B0, 200 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) : {3835238} normal block at 0x000001D4F5FB00E0, 8 bytes long.
 Data: <  &#246;&#245;&#212;   > 00 00 F6 F5 D4 01 00 00 
{3834587} normal block at 0x000001D4F5FA8490, 200 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 0x000001D4F5FAFFA0, 8 bytes long.
 Data: <p&#170;&#249;&#245;&#212;   > 70 AA F9 F5 D4 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001D4F5FB0940, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D4F5F95D50, 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 0x000001D4F5FA6350, 16 bytes long.
 Data: <( &#251;&#245;&#212;           > 28 1E FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D4F5FA6300, 16 bytes long.
 Data: <  &#251;&#245;&#212;           > 00 1E FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D4F5FAC110, 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 0x000001D4F5FA62B0, 16 bytes long.
 Data: <&#216; &#251;&#245;&#212;           > D8 1D FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D4F5FA6260, 16 bytes long.
 Data: <&#176; &#251;&#245;&#212;           > B0 1D FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D4F5FA68A0, 16 bytes long.
 Data: <  &#251;&#245;&#212;           > 88 1D FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D4F5FA6850, 16 bytes long.
 Data: <` &#251;&#245;&#212;           > 60 1D FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D4F5FAB100, 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 0x000001D4F5FA6710, 16 bytes long.
 Data: <&#232;\&#249;&#245;&#212;           > E8 5C F9 F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D4F5FAC9B0, 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 0x000001D4F5FA6120, 16 bytes long.
 Data: <&#192;\&#249;&#245;&#212;           > C0 5C F9 F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D4F5FA66C0, 16 bytes long.
 Data: < \&#249;&#245;&#212;           > 98 5C F9 F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D4F5FA60D0, 16 bytes long.
 Data: <p\&#249;&#245;&#212;           > 70 5C F9 F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D4F5FA65D0, 16 bytes long.
 Data: <H\&#249;&#245;&#212;           > 48 5C F9 F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D4F5FAFF50, 16 bytes long.
 Data: < \&#249;&#245;&#212;           > 20 5C F9 F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D4F5FB0630, 16 bytes long.
 Data: <&#248;[&#249;&#245;&#212;           > F8 5B F9 F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D4F5FACAD0, 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 0x000001D4F5FB05E0, 16 bytes long.
 Data: <&#208;[&#249;&#245;&#212;           > D0 5B F9 F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D4F5F95BD0, 320 bytes long.
 Data: <&#224; &#251;&#245;&#212;   &#208;&#202;&#250;&#245;&#212;   > E0 05 FB F5 D4 01 00 00 D0 CA FA F5 D4 01 00 00 
{269} normal block at 0x000001D4F5FB04A0, 16 bytes long.
 Data: <@ &#251;&#245;&#212;           > 40 1D FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D4F5FB0450, 16 bytes long.
 Data: <  &#251;&#245;&#212;           > 18 1D FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D4F5FAC050, 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 0x000001D4F5FB0400, 16 bytes long.
 Data: <&#240; &#251;&#245;&#212;           > F0 1C FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D4F5FAC1D0, 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 0x000001D4F5FB02C0, 16 bytes long.
 Data: <8 &#251;&#245;&#212;           > 38 1C FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D4F5FB0270, 16 bytes long.
 Data: <  &#251;&#245;&#212;           > 10 1C FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D4F5FB0590, 16 bytes long.
 Data: <&#232; &#251;&#245;&#212;           > E8 1B FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D4F5FAFF00, 16 bytes long.
 Data: <&#192; &#251;&#245;&#212;           > C0 1B FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D4F5FB0360, 16 bytes long.
 Data: <  &#251;&#245;&#212;           > 98 1B FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D4F5FB03B0, 16 bytes long.
 Data: <p &#251;&#245;&#212;           > 70 1B FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D4F5FB0540, 16 bytes long.
 Data: <&#160;&#172;&#250;&#245;&#212;           > A0 AC FA F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D4F5FAACA0, 40 bytes long.
 Data: <@ &#251;&#245;&#212;   &#240;? &#247;&#212;   > 40 05 FB F5 D4 01 00 00 F0 3F B2 F7 D4 01 00 00 
{255} normal block at 0x000001D4F5FB0220, 16 bytes long.
 Data: <P &#251;&#245;&#212;           > 50 1B FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D4F5FAFFF0, 16 bytes long.
 Data: <( &#251;&#245;&#212;           > 28 1B FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001D4F5FAC530, 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 0x000001D4F5FB0180, 16 bytes long.
 Data: <  &#251;&#245;&#212;           > 00 1B FB F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D4F5FB1B00, 992 bytes long.
 Data: <  &#251;&#245;&#212;   0&#197;&#250;&#245;&#212;   > 80 01 FB F5 D4 01 00 00 30 C5 FA F5 D4 01 00 00 
{87} normal block at 0x000001D4F5FAC4D0, 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 0x000001D4F5FA6080, 16 bytes long.
 Data: <&#192;&#171;&#250;&#245;&#212;           > C0 AB FA F5 D4 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001D4F5FAABC0, 40 bytes long.
 Data: < `&#250;&#245;&#212;   &#208;&#196;&#250;&#245;&#212;   > 80 60 FA F5 D4 01 00 00 D0 C4 FA F5 D4 01 00 00 
{64} normal block at 0x000001D4F5FA6030, 16 bytes long.
 Data: < &#234;&#201;&#223;&#247;           > 80 EA C9 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D4F5FA6800, 16 bytes long.
 Data: <@&#233;&#201;&#223;&#247;           > 40 E9 C9 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D4F5FA6530, 16 bytes long.
 Data: <&#248;W&#198;&#223;&#247;           > F8 57 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D4F5FA5EA0, 16 bytes long.
 Data: <&#216;W&#198;&#223;&#247;           > D8 57 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D4F5FA67B0, 16 bytes long.
 Data: <P &#198;&#223;&#247;           > 50 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D4F5FA6B70, 16 bytes long.
 Data: <0 &#198;&#223;&#247;           > 30 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D4F5FA6B20, 16 bytes long.
 Data: <&#224; &#198;&#223;&#247;           > E0 02 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D4F5FA5DB0, 16 bytes long.
 Data: <  &#198;&#223;&#247;           > 10 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D4F5FA6990, 16 bytes long.
 Data: <p &#198;&#223;&#247;           > 70 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D4F5FA5D10, 16 bytes long.
 Data: < &#192;&#196;&#223;&#247;           > 18 C0 C4 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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