Task 38688773

Name test_715-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND4691_0
Workunit 31630095
Created 28 Oct 2026, 16:04:28 UTC
Sent 28 Oct 2026, 16:04:34 UTC
Report deadline 2 Nov 2026, 16:04:34 UTC
Received 28 Oct 2026, 16:30:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 22 min 27 sec
CPU time 21 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.45 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:05:23 (26952): wrapper (7.9.26016): starting
12:05:23 (26952): 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
12:05:24 (26952): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:05:24 (26952): 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\0\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\0\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
12:27:30 (26952): C:/Windows/system32/cmd.exe exited; CPU time 1288.578125
12:27:30 (26952): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 24823861 bytes.
Dumping objects ->
{3835255} normal block at 0x0000017BCDF98E80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000017BCDF996D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000017BCDF99120, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000017BCDF98E10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000017BCDF98940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000017BCDF9A3D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835167} normal block at 0x0000017BCDF6CD50, 8 bytes long.
 Data: <  V&#206;{   > 00 00 56 CE 7B 01 00 00 
{3833967} normal block at 0x0000017BCDF6D3E0, 8 bytes long.
 Data: < ;&#247;&#205;{   > 90 3B F7 CD 7B 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000017BCDF682A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000017BCDF718B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000017BCDF75E40, 16 bytes long.
 Data: <xg&#247;&#205;{           > 78 67 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017BCDF75F30, 16 bytes long.
 Data: <Pg&#247;&#205;{           > 50 67 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017BCDF69810, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000017BCDF76390, 16 bytes long.
 Data: <(g&#247;&#205;{           > 28 67 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017BCDF75850, 16 bytes long.
 Data: < g&#247;&#205;{           > 00 67 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017BCDF75EE0, 16 bytes long.
 Data: <&#216;f&#247;&#205;{           > D8 66 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017BCDF758A0, 16 bytes long.
 Data: <&#176;f&#247;&#205;{           > B0 66 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017BCDF6C940, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000017BCDF75B20, 16 bytes long.
 Data: <x&#231;&#246;&#205;{           > 78 E7 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017BCDF68FD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000017BCDF75530, 16 bytes long.
 Data: <P&#231;&#246;&#205;{           > 50 E7 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017BCDF755D0, 16 bytes long.
 Data: <(&#231;&#246;&#205;{           > 28 E7 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017BCDF75800, 16 bytes long.
 Data: < &#231;&#246;&#205;{           > 00 E7 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017BCDF76340, 16 bytes long.
 Data: <&#216;&#230;&#246;&#205;{           > D8 E6 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017BCDF75A30, 16 bytes long.
 Data: <&#176;&#230;&#246;&#205;{           > B0 E6 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017BCDF75C60, 16 bytes long.
 Data: < &#230;&#246;&#205;{           > 88 E6 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017BCDF68F70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000017BCDF75620, 16 bytes long.
 Data: <`&#230;&#246;&#205;{           > 60 E6 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017BCDF6E660, 320 bytes long.
 Data: < V&#247;&#205;{   p &#246;&#205;{   > 20 56 F7 CD 7B 01 00 00 70 8F F6 CD 7B 01 00 00 
{279} normal block at 0x0000017BCDF75DF0, 16 bytes long.
 Data: < f&#247;&#205;{           > 90 66 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017BCDF75E90, 16 bytes long.
 Data: <hf&#247;&#205;{           > 68 66 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017BCDF68F10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000017BCDF75940, 16 bytes long.
 Data: <@f&#247;&#205;{           > 40 66 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017BCDF69750, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000017BCDF75F80, 16 bytes long.
 Data: < e&#247;&#205;{           > 88 65 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017BCDF75990, 16 bytes long.
 Data: <`e&#247;&#205;{           > 60 65 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017BCDF75760, 16 bytes long.
 Data: <8e&#247;&#205;{           > 38 65 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017BCDF757B0, 16 bytes long.
 Data: < e&#247;&#205;{           > 10 65 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017BCDF75BC0, 16 bytes long.
 Data: <&#232;d&#247;&#205;{           > E8 64 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017BCDF75A80, 16 bytes long.
 Data: <&#192;d&#247;&#205;{           > C0 64 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017BCDF762F0, 16 bytes long.
 Data: <&#208;&#200;&#246;&#205;{           > D0 C8 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017BCDF6C8D0, 40 bytes long.
 Data: <&#240;b&#247;&#205;{   &#208;&#163;&#249;&#205;{   > F0 62 F7 CD 7B 01 00 00 D0 A3 F9 CD 7B 01 00 00 
{265} normal block at 0x0000017BCDF76020, 16 bytes long.
 Data: <&#160;d&#247;&#205;{           > A0 64 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017BCDF76250, 16 bytes long.
 Data: <xd&#247;&#205;{           > 78 64 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017BCDF69DB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000017BCDF75DA0, 16 bytes long.
 Data: <Pd&#247;&#205;{           > 50 64 F7 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017BCDF76450, 992 bytes long.
 Data: <&#160;]&#247;&#205;{   &#176; &#246;&#205;{   > A0 5D F7 CD 7B 01 00 00 B0 9D F6 CD 7B 01 00 00 
{97} normal block at 0x0000017BCDF69990, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000017BCDF6D110, 16 bytes long.
 Data: < &#199;&#246;&#205;{           > 10 C7 F6 CD 7B 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000017BCDF6C710, 40 bytes long.
 Data: < &#209;&#246;&#205;{     &#246;&#205;{   > 10 D1 F6 CD 7B 01 00 00 90 99 F6 CD 7B 01 00 00 
{74} normal block at 0x0000017BCDF6D250, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000017BCDF6CD00, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017BCDF6D070, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017BCDF6D6B0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017BCDF6D520, 16 bytes long.
 Data: <P   &#247;           > 50 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017BCDF6D4D0, 16 bytes long.
 Data: <0   &#247;           > 30 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017BCDF6CF30, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017BCDF6D0C0, 16 bytes long.
 Data: <    &#247;           > 10 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017BCDF6DAC0, 16 bytes long.
 Data: <p   &#247;           > 70 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017BCDF6D200, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 12 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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