Task 38666654

Name test_801-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND9835_2
Workunit 31609347
Created 25 Oct 2026, 4:16:14 UTC
Sent 25 Oct 2026, 4:26:55 UTC
Report deadline 30 Oct 2026, 4:26:55 UTC
Received 25 Oct 2026, 5:23:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627058
Run time 54 min 59 sec
CPU time 53 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,795.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.38 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:27:04 (27880): wrapper (7.9.26016): starting
05:27:04 (27880): 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
05:27:05 (27880): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:27:05 (27880): 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\26\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\26\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
06:21:36 (27880): C:/Windows/system32/cmd.exe exited; CPU time 3208.578125
06:21:36 (27880): 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: 60976437 bytes.
Dumping objects ->
{3835524} normal block at 0x000001FD2A6761D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835513} normal block at 0x000001FD2A675980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000001FD2A675910, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835491} normal block at 0x000001FD2A675E50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x000001FD2A675DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835449} normal block at 0x000001FD2C2412F0, 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) : {3835436} normal block at 0x000001FD2A5A2500, 8 bytes long.
 Data: <  &#151;*&#253;   > 00 00 97 2A FD 01 00 00 
{3833967} normal block at 0x000001FD2A5A2280, 8 bytes long.
 Data: <p&#168;1,&#253;   > 70 A8 31 2C FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FD2A59C970, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FD2A5966C0, 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 0x000001FD2A5A9B20, 16 bytes long.
 Data: <X&#169;Z*&#253;           > 58 A9 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FD2A5AA250, 16 bytes long.
 Data: <0&#169;Z*&#253;           > 30 A9 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FD2A5A3C00, 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 0x000001FD2A5A9C10, 16 bytes long.
 Data: < &#169;Z*&#253;           > 08 A9 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FD2A5A9710, 16 bytes long.
 Data: <&#224;&#168;Z*&#253;           > E0 A8 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FD2A5AA570, 16 bytes long.
 Data: <&#184;&#168;Z*&#253;           > B8 A8 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FD2A5A9AD0, 16 bytes long.
 Data: < &#168;Z*&#253;           > 90 A8 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FD2A5A5300, 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 0x000001FD2A5A9A30, 16 bytes long.
 Data: <h&#236;X*&#253;           > 68 EC 58 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FD2A5A34E0, 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 0x000001FD2A5AA520, 16 bytes long.
 Data: <@&#236;X*&#253;           > 40 EC 58 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FD2A5A9A80, 16 bytes long.
 Data: < &#236;X*&#253;           > 18 EC 58 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FD2A5A9CB0, 16 bytes long.
 Data: <&#240;&#235;X*&#253;           > F0 EB 58 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FD2A5A99E0, 16 bytes long.
 Data: <&#200;&#235;X*&#253;           > C8 EB 58 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FD2A5A9F30, 16 bytes long.
 Data: <&#160;&#235;X*&#253;           > A0 EB 58 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FD2A5A9E90, 16 bytes long.
 Data: <x&#235;X*&#253;           > 78 EB 58 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FD2A5A36C0, 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 0x000001FD2A5A9EE0, 16 bytes long.
 Data: <P&#235;X*&#253;           > 50 EB 58 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FD2A58EB50, 320 bytes long.
 Data: <&#224;&#158;Z*&#253;   &#192;6Z*&#253;   > E0 9E 5A 2A FD 01 00 00 C0 36 5A 2A FD 01 00 00 
{279} normal block at 0x000001FD2A5AA0C0, 16 bytes long.
 Data: <p&#168;Z*&#253;           > 70 A8 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FD2A5A9940, 16 bytes long.
 Data: <H&#168;Z*&#253;           > 48 A8 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FD2A5A3C60, 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 0x000001FD2A5A96C0, 16 bytes long.
 Data: < &#168;Z*&#253;           > 20 A8 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FD2A5A39C0, 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 0x000001FD2A5AA430, 16 bytes long.
 Data: <h&#167;Z*&#253;           > 68 A7 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FD2A5A9E40, 16 bytes long.
 Data: <@&#167;Z*&#253;           > 40 A7 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FD2A5A9FD0, 16 bytes long.
 Data: < &#167;Z*&#253;           > 18 A7 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FD2A5AA4D0, 16 bytes long.
 Data: <&#240;&#166;Z*&#253;           > F0 A6 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FD2A5A98F0, 16 bytes long.
 Data: <&#200;&#166;Z*&#253;           > C8 A6 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FD2A5A9850, 16 bytes long.
 Data: <&#160;&#166;Z*&#253;           > A0 A6 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FD2A5A9B70, 16 bytes long.
 Data: <&#240;OZ*&#253;           > F0 4F 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FD2A5A4FF0, 40 bytes long.
 Data: <p&#155;Z*&#253;   &#240; $,&#253;   > 70 9B 5A 2A FD 01 00 00 F0 12 24 2C FD 01 00 00 
{265} normal block at 0x000001FD2A5AA200, 16 bytes long.
 Data: < &#166;Z*&#253;           > 80 A6 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FD2A5AA390, 16 bytes long.
 Data: <X&#166;Z*&#253;           > 58 A6 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FD2A5A35A0, 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 0x000001FD2A5A9990, 16 bytes long.
 Data: <0&#166;Z*&#253;           > 30 A6 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FD2A5AA630, 992 bytes long.
 Data: <  Z*&#253;   &#160;5Z*&#253;   > 90 99 5A 2A FD 01 00 00 A0 35 5A 2A FD 01 00 00 
{97} normal block at 0x000001FD2A5A38A0, 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 0x000001FD2A5A1970, 16 bytes long.
 Data: <@QZ*&#253;           > 40 51 5A 2A FD 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001FD2A5A5140, 40 bytes long.
 Data: <p Z*&#253;   &#160;8Z*&#253;   > 70 19 5A 2A FD 01 00 00 A0 38 5A 2A FD 01 00 00 
{74} normal block at 0x000001FD2A5A20F0, 16 bytes long.
 Data: < &#234;&#235;9&#246;           > 80 EA EB 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FD2A5A2460, 16 bytes long.
 Data: <@&#233;&#235;9&#246;           > 40 E9 EB 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FD2A5A1C90, 16 bytes long.
 Data: <&#248;W&#232;9&#246;           > F8 57 E8 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FD2A5A2230, 16 bytes long.
 Data: <&#216;W&#232;9&#246;           > D8 57 E8 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FD2A5A1B50, 16 bytes long.
 Data: <P &#232;9&#246;           > 50 04 E8 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FD2A5A1DD0, 16 bytes long.
 Data: <0 &#232;9&#246;           > 30 04 E8 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FD2A5A1F60, 16 bytes long.
 Data: <&#224; &#232;9&#246;           > E0 02 E8 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FD2A5A2050, 16 bytes long.
 Data: <  &#232;9&#246;           > 10 04 E8 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FD2A5A1C40, 16 bytes long.
 Data: <p &#232;9&#246;           > 70 04 E8 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FD2A5A2190, 16 bytes long.
 Data: < &#192;&#230;9&#246;           > 18 C0 E6 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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