Task 38659484

Name test_388-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND2507_0
Workunit 31603030
Created 24 Oct 2026, 13:27:33 UTC
Sent 24 Oct 2026, 13:29:19 UTC
Report deadline 29 Oct 2026, 13:29:19 UTC
Received 24 Oct 2026, 14:17:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629206
Run time 40 min 23 sec
CPU time 40 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.22 MB
Peak swap size 5.37 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:34:25 (23720): wrapper (7.9.26016): starting
14:34:25 (23720): 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
14:34:26 (23720): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:34:26 (23720): 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
15:17:15 (23720): C:/Windows/system32/cmd.exe exited; CPU time 2423.890625
15:17:15 (23720): 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: 51835699 bytes.
Dumping objects ->
{3835612} normal block at 0x000001A503A00B70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835601} normal block at 0x000001A503A00860, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x000001A503A00780, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835579} normal block at 0x000001A501DC4DB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835568} normal block at 0x000001A501DC4CD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835537} normal block at 0x000001A503A758C0, 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) : {3835524} normal block at 0x000001A501DBF700, 8 bytes long.
 Data: <  # &#165;   > 00 00 23 02 A5 01 00 00 
{3833967} normal block at 0x000001A501DBEF80, 8 bytes long.
 Data: <p&#241;&#159; &#165;   > 70 F1 9F 03 A5 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A501DC0870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A501DB5D70, 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 0x000001A501DC5DF0, 16 bytes long.
 Data: < f&#220; &#165;           > 88 66 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A501DC5FD0, 16 bytes long.
 Data: <`f&#220; &#165;           > 60 66 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A501DBFCE0, 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 0x000001A501DC5580, 16 bytes long.
 Data: <8f&#220; &#165;           > 38 66 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A501DC6070, 16 bytes long.
 Data: < f&#220; &#165;           > 10 66 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A501DC5B20, 16 bytes long.
 Data: <&#232;e&#220; &#165;           > E8 65 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A501DC62F0, 16 bytes long.
 Data: <&#192;e&#220; &#165;           > C0 65 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A501DC48E0, 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 0x000001A501DC5BC0, 16 bytes long.
 Data: <&#168;&#230;&#218; &#165;           > A8 E6 DA 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A501DBF860, 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 0x000001A501DC5F30, 16 bytes long.
 Data: < &#230;&#218; &#165;           > 80 E6 DA 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A501DC61B0, 16 bytes long.
 Data: <X&#230;&#218; &#165;           > 58 E6 DA 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A501DC5E90, 16 bytes long.
 Data: <0&#230;&#218; &#165;           > 30 E6 DA 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A501DC6160, 16 bytes long.
 Data: < &#230;&#218; &#165;           > 08 E6 DA 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A501DC5D00, 16 bytes long.
 Data: <&#224;&#229;&#218; &#165;           > E0 E5 DA 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A501DC5E40, 16 bytes long.
 Data: <&#184;&#229;&#218; &#165;           > B8 E5 DA 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A501DBFAA0, 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 0x000001A501DC58A0, 16 bytes long.
 Data: < &#229;&#218; &#165;           > 90 E5 DA 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A501DAE590, 320 bytes long.
 Data: <&#160;X&#220; &#165;   &#160;&#250;&#219; &#165;   > A0 58 DC 01 A5 01 00 00 A0 FA DB 01 A5 01 00 00 
{279} normal block at 0x000001A501DC5530, 16 bytes long.
 Data: <&#160;e&#220; &#165;           > A0 65 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A501DC5670, 16 bytes long.
 Data: <xe&#220; &#165;           > 78 65 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A501DC0160, 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 0x000001A501DC6200, 16 bytes long.
 Data: <Pe&#220; &#165;           > 50 65 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A501DC0640, 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 0x000001A501DC5CB0, 16 bytes long.
 Data: < d&#220; &#165;           > 98 64 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A501DC5800, 16 bytes long.
 Data: <pd&#220; &#165;           > 70 64 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A501DC6110, 16 bytes long.
 Data: <Hd&#220; &#165;           > 48 64 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A501DC62A0, 16 bytes long.
 Data: < d&#220; &#165;           > 20 64 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A501DC5710, 16 bytes long.
 Data: <&#248;c&#220; &#165;           > F8 63 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A501DC57B0, 16 bytes long.
 Data: <&#208;c&#220; &#165;           > D0 63 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A501DC59E0, 16 bytes long.
 Data: <@M&#220; &#165;           > 40 4D DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A501DC4D40, 40 bytes long.
 Data: <&#224;Y&#220; &#165;   &#192;X&#167; &#165;   > E0 59 DC 01 A5 01 00 00 C0 58 A7 03 A5 01 00 00 
{265} normal block at 0x000001A501DC5440, 16 bytes long.
 Data: <&#176;c&#220; &#165;           > B0 63 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A501DC5AD0, 16 bytes long.
 Data: < c&#220; &#165;           > 88 63 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A501DBFC20, 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 0x000001A501DC5760, 16 bytes long.
 Data: <`c&#220; &#165;           > 60 63 DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A501DC6360, 992 bytes long.
 Data: <`W&#220; &#165;    &#252;&#219; &#165;   > 60 57 DC 01 A5 01 00 00 20 FC DB 01 A5 01 00 00 
{97} normal block at 0x000001A501DC06A0, 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 0x000001A501DBEB70, 16 bytes long.
 Data: < N&#220; &#165;           > 90 4E DC 01 A5 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001A501DC4E90, 40 bytes long.
 Data: <p&#235;&#219; &#165;   &#160; &#220; &#165;   > 70 EB DB 01 A5 01 00 00 A0 06 DC 01 A5 01 00 00 
{74} normal block at 0x000001A501DBF3E0, 16 bytes long.
 Data: < &#234;&#164;%&#246;           > 80 EA A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A501DBEDA0, 16 bytes long.
 Data: <@&#233;&#164;%&#246;           > 40 E9 A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A501DBE940, 16 bytes long.
 Data: <&#248;W&#161;%&#246;           > F8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A501DBEB20, 16 bytes long.
 Data: <&#216;W&#161;%&#246;           > D8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A501DBF110, 16 bytes long.
 Data: <P &#161;%&#246;           > 50 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A501DBEAD0, 16 bytes long.
 Data: <0 &#161;%&#246;           > 30 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A501DBF660, 16 bytes long.
 Data: <&#224; &#161;%&#246;           > E0 02 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A501DBEA30, 16 bytes long.
 Data: <  &#161;%&#246;           > 10 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A501DBF4D0, 16 bytes long.
 Data: <p &#161;%&#246;           > 70 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A501DBF390, 16 bytes long.
 Data: < &#192;&#159;%&#246;           > 18 C0 9F 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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