Task 38688099

Name test_737-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1099_0
Workunit 31629468
Created 28 Oct 2026, 11:38:29 UTC
Sent 28 Oct 2026, 11:38:34 UTC
Report deadline 2 Nov 2026, 11:38:34 UTC
Received 28 Oct 2026, 12:41:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642289
Run time 1 hours 2 min 25 sec
CPU time 58 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.16 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
07:40:32 (38836): wrapper (7.9.26016): starting
07:40:32 (38836): 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
07:40:33 (38836): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:40:33 (38836): 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\11\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\11\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
08:41:12 (38836): C:/Windows/system32/cmd.exe exited; CPU time 3503.625000
08:41:12 (38836): 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: 75158321 bytes.
Dumping objects ->
{3835525} normal block at 0x000001E4AB247330, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001E4AB2473A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x000001E4AB2475D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x000001E4AB2479C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000001E4AB247950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x000001E4AB1ACF10, 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) : {3835437} normal block at 0x000001E4A952D420, 8 bytes long.
 Data: <  &#151;&#169;&#228;   > 00 00 97 A9 E4 01 00 00 
{3833969} normal block at 0x000001E4A952CBB0, 8 bytes long.
 Data: < GS&#169;&#228;   > 10 47 53 A9 E4 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E4A9530640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E4A9525D70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001E4A9535330, 16 bytes long.
 Data: <&#184;aS&#169;&#228;           > B8 61 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E4A9535C90, 16 bytes long.
 Data: < aS&#169;&#228;           > 90 61 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E4A952E7F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001E4A9535880, 16 bytes long.
 Data: <haS&#169;&#228;           > 68 61 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E4A9535240, 16 bytes long.
 Data: <@aS&#169;&#228;           > 40 61 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E4A9535C40, 16 bytes long.
 Data: < aS&#169;&#228;           > 18 61 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E4A9535BF0, 16 bytes long.
 Data: <&#240;`S&#169;&#228;           > F0 60 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E4A9533310, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001E4A95351A0, 16 bytes long.
 Data: < &#246;Q&#169;&#228;           > 18 F6 51 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E4A952E490, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001E4A95357E0, 16 bytes long.
 Data: <&#240;&#245;Q&#169;&#228;           > F0 F5 51 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E4A9535DD0, 16 bytes long.
 Data: <&#200;&#245;Q&#169;&#228;           > C8 F5 51 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E4A9535290, 16 bytes long.
 Data: <&#160;&#245;Q&#169;&#228;           > A0 F5 51 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E4A9535D80, 16 bytes long.
 Data: <x&#245;Q&#169;&#228;           > 78 F5 51 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E4A95351F0, 16 bytes long.
 Data: <P&#245;Q&#169;&#228;           > 50 F5 51 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E4A95353D0, 16 bytes long.
 Data: <(&#245;Q&#169;&#228;           > 28 F5 51 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E4A952ECD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001E4A9535150, 16 bytes long.
 Data: < &#245;Q&#169;&#228;           > 00 F5 51 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E4A951F500, 320 bytes long.
 Data: <PQS&#169;&#228;   &#208;&#236;R&#169;&#228;   > 50 51 53 A9 E4 01 00 00 D0 EC 52 A9 E4 01 00 00 
{280} normal block at 0x000001E4A95352E0, 16 bytes long.
 Data: <&#208;`S&#169;&#228;           > D0 60 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E4A9535AB0, 16 bytes long.
 Data: <&#168;`S&#169;&#228;           > A8 60 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E4A952EAF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001E4A9535100, 16 bytes long.
 Data: < `S&#169;&#228;           > 80 60 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E4A952EF70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001E4A95350B0, 16 bytes long.
 Data: <&#200;_S&#169;&#228;           > C8 5F 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E4A9535790, 16 bytes long.
 Data: <&#160;_S&#169;&#228;           > A0 5F 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E4A9535BA0, 16 bytes long.
 Data: <x_S&#169;&#228;           > 78 5F 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E4A9534F70, 16 bytes long.
 Data: <P_S&#169;&#228;           > 50 5F 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E4A9535A60, 16 bytes long.
 Data: <(_S&#169;&#228;           > 28 5F 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E4A9535CE0, 16 bytes long.
 Data: < _S&#169;&#228;           > 00 5F 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E4A9535B50, 16 bytes long.
 Data: <P8S&#169;&#228;           > 50 38 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E4A9533850, 40 bytes long.
 Data: <P[S&#169;&#228;    &#207; &#171;&#228;   > 50 5B 53 A9 E4 01 00 00 10 CF 1A AB E4 01 00 00 
{266} normal block at 0x000001E4A9535920, 16 bytes long.
 Data: <&#224;^S&#169;&#228;           > E0 5E 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E4A95356F0, 16 bytes long.
 Data: <&#184;^S&#169;&#228;           > B8 5E 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E4A952EE50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001E4A9535010, 16 bytes long.
 Data: < ^S&#169;&#228;           > 90 5E 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E4A9535E90, 992 bytes long.
 Data: < PS&#169;&#228;   P&#238;R&#169;&#228;   > 10 50 53 A9 E4 01 00 00 50 EE 52 A9 E4 01 00 00 
{98} normal block at 0x000001E4A952EC70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001E4A952D3D0, 16 bytes long.
 Data: < 6S&#169;&#228;           > 20 36 53 A9 E4 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001E4A9533620, 40 bytes long.
 Data: <&#208;&#211;R&#169;&#228;   p&#236;R&#169;&#228;   > D0 D3 52 A9 E4 01 00 00 70 EC 52 A9 E4 01 00 00 
{75} normal block at 0x000001E4A952CF70, 16 bytes long.
 Data: < &#234;&#208;P&#247;           > 80 EA D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E4A952D290, 16 bytes long.
 Data: <@&#233;&#208;P&#247;           > 40 E9 D0 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E4A952D1A0, 16 bytes long.
 Data: <&#248;W&#205;P&#247;           > F8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E4A952D010, 16 bytes long.
 Data: <&#216;W&#205;P&#247;           > D8 57 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E4A952CD40, 16 bytes long.
 Data: <P &#205;P&#247;           > 50 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E4A952D6A0, 16 bytes long.
 Data: <0 &#205;P&#247;           > 30 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E4A952CDE0, 16 bytes long.
 Data: <&#224; &#205;P&#247;           > E0 02 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E4A952D5B0, 16 bytes long.
 Data: <  &#205;P&#247;           > 10 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E4A952CCA0, 16 bytes long.
 Data: <p &#205;P&#247;           > 70 04 CD 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E4A952D380, 16 bytes long.
 Data: < &#192;&#203;P&#247;           > 18 C0 CB 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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