Task 38695711

Name test_942-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2842_0
Workunit 31636395
Created 31 Oct 2026, 14:12:52 UTC
Sent 31 Oct 2026, 14:12:57 UTC
Report deadline 5 Nov 2026, 14:12:57 UTC
Received 31 Oct 2026, 15:05:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632144
Run time 51 min 57 sec
CPU time 50 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.73 MB
Peak swap size 6.92 GB
Peak disk usage 3.27 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:14:01 (63240): wrapper (7.9.26016): starting
07:14:01 (63240): 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
07:14:02 (63240): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:14:02 (63240): 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\2\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\2\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
08:05:15 (63240): C:/Windows/system32/cmd.exe exited; CPU time 3027.546875
08:05:15 (63240): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 105911725 bytes.
Dumping objects ->
{3835638} normal block at 0x0000016DAA19F7F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x0000016DAA19F320, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x0000016DAA19FA20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x0000016DAA19F9B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x0000016DAA19F940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x0000016DABF76770, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x0000016DABF02A90, 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) : {3835549} normal block at 0x0000016DAA16BE00, 8 bytes long.
 Data: <  &#192;&#171;m   > 00 00 C0 AB 6D 01 00 00 
{3834742} normal block at 0x0000016DABF01EE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833987} normal block at 0x0000016DAA16C350, 8 bytes long.
 Data: < y&#244;&#171;m   > 90 79 F4 AB 6D 01 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000016DAA170F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000016DAA168B50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x0000016DAA179660, 16 bytes long.
 Data: < &#155; &#170;m           > 88 9B 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000016DAA178B70, 16 bytes long.
 Data: <`&#155; &#170;m           > 60 9B 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000016DAA173350, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x0000016DAA1789E0, 16 bytes long.
 Data: <8&#155; &#170;m           > 38 9B 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000016DAA178940, 16 bytes long.
 Data: < &#155; &#170;m           > 10 9B 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000016DAA178F80, 16 bytes long.
 Data: <&#232;&#154; &#170;m           > E8 9A 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000016DAA179160, 16 bytes long.
 Data: <&#192;&#154; &#170;m           > C0 9A 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000016DAA176200, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x0000016DAA178B20, 16 bytes long.
 Data: < 2 &#170;m           > 88 32 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000016DAA1739B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x0000016DAA178E40, 16 bytes long.
 Data: <`2 &#170;m           > 60 32 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016DAA1792A0, 16 bytes long.
 Data: <82 &#170;m           > 38 32 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016DAA178A80, 16 bytes long.
 Data: < 2 &#170;m           > 10 32 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016DAA178D00, 16 bytes long.
 Data: <&#232;1 &#170;m           > E8 31 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016DAA179110, 16 bytes long.
 Data: <&#192;1 &#170;m           > C0 31 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016DAA179700, 16 bytes long.
 Data: < 1 &#170;m           > 98 31 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016DAA1741F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x0000016DAA178F30, 16 bytes long.
 Data: <p1 &#170;m           > 70 31 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016DAA173170, 320 bytes long.
 Data: <0  &#170;m   &#240;A &#170;m   > 30 8F 17 AA 6D 01 00 00 F0 41 17 AA 6D 01 00 00 
{289} normal block at 0x0000016DAA1790C0, 16 bytes long.
 Data: <&#160;&#154; &#170;m           > A0 9A 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016DAA178DF0, 16 bytes long.
 Data: <x&#154; &#170;m           > 78 9A 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016DAA174190, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x0000016DAA178A30, 16 bytes long.
 Data: <P&#154; &#170;m           > 50 9A 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016DAA173710, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x0000016DAA179610, 16 bytes long.
 Data: <   &#170;m           > 98 99 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016DAA179750, 16 bytes long.
 Data: <p  &#170;m           > 70 99 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016DAA178E90, 16 bytes long.
 Data: <H  &#170;m           > 48 99 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016DAA1795C0, 16 bytes long.
 Data: <   &#170;m           > 20 99 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016DAA178AD0, 16 bytes long.
 Data: <&#248;  &#170;m           > F8 98 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016DAA179340, 16 bytes long.
 Data: <&#208;  &#170;m           > D0 98 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016DAA1796B0, 16 bytes long.
 Data: <&#176;` &#170;m           > B0 60 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016DAA1760B0, 40 bytes long.
 Data: <&#176;&#150; &#170;m   pg&#247;&#171;m   > B0 96 17 AA 6D 01 00 00 70 67 F7 AB 6D 01 00 00 
{275} normal block at 0x0000016DAA178990, 16 bytes long.
 Data: <&#176;  &#170;m           > B0 98 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016DAA1788F0, 16 bytes long.
 Data: <   &#170;m           > 88 98 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016DAA1740D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x0000016DAA179200, 16 bytes long.
 Data: <`  &#170;m           > 60 98 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016DAA179860, 992 bytes long.
 Data: < &#146; &#170;m   &#208;@ &#170;m   > 00 92 17 AA 6D 01 00 00 D0 40 17 AA 6D 01 00 00 
{107} normal block at 0x0000016DAA173410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x0000016DAA16C710, 16 bytes long.
 Data: <@` &#170;m           > 40 60 17 AA 6D 01 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000016DAA176040, 40 bytes long.
 Data: < &#199; &#170;m    4 &#170;m   > 10 C7 16 AA 6D 01 00 00 10 34 17 AA 6D 01 00 00 
{84} normal block at 0x0000016DAA16BDB0, 16 bytes long.
 Data: < &#234;.&#245;&#246;           > 80 EA 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000016DAA16C260, 16 bytes long.
 Data: <@&#233;.&#245;&#246;           > 40 E9 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000016DAA16C0D0, 16 bytes long.
 Data: <&#248;W+&#245;&#246;           > F8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000016DAA16C210, 16 bytes long.
 Data: <&#216;W+&#245;&#246;           > D8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000016DAA16BF40, 16 bytes long.
 Data: <P +&#245;&#246;           > 50 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000016DAA16CB20, 16 bytes long.
 Data: <0 +&#245;&#246;           > 30 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000016DAA16C620, 16 bytes long.
 Data: <&#224; +&#245;&#246;           > E0 02 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000016DAA16C670, 16 bytes long.
 Data: <  +&#245;&#246;           > 10 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000016DAA16C6C0, 16 bytes long.
 Data: <p +&#245;&#246;           > 70 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000016DAA16C490, 16 bytes long.
 Data: < &#192;)&#245;&#246;           > 18 C0 29 F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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