Task 38685744

Name test_671-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4866_0
Workunit 31627202
Created 27 Oct 2026, 22:41:29 UTC
Sent 27 Oct 2026, 22:41:33 UTC
Report deadline 1 Nov 2026, 22:41:33 UTC
Received 27 Oct 2026, 23:34:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 21 min 4 sec
CPU time 20 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,700.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.26 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:10:12 (15960): wrapper (7.9.26016): starting
18:10:12 (15960): 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
18:10:13 (15960): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:10:13 (15960): 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
18:30:43 (15960): C:/Windows/system32/cmd.exe exited; CPU time 1237.281250
18:30:43 (15960): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15428799 bytes.
Dumping objects ->
{3835569} normal block at 0x0000022C8B803FA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x0000022C8B803A60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000022C8B803910, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x0000022C8B803D70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000022C8B803EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x0000022C8D695FF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x0000022C8B7EE2E0, 235 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) : {3835480} normal block at 0x0000022C8B7FEC00, 8 bytes long.
 Data: <  x&#139;,   > 00 00 78 8B 2C 02 00 00 
{3834703} normal block at 0x0000022C8B7EE1B0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000022C8B7FE250, 8 bytes long.
 Data: < &#235; &#139;,   > 80 EB 8D 8B 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000022C8B8003B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022C8B7F6180, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000022C8B804700, 16 bytes long.
 Data: <&#248;\ &#139;,           > F8 5C 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022C8B804CA0, 16 bytes long.
 Data: <&#208;\ &#139;,           > D0 5C 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022C8B7FFB60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000022C8B804ED0, 16 bytes long.
 Data: <&#168;\ &#139;,           > A8 5C 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022C8B804C00, 16 bytes long.
 Data: < \ &#139;,           > 80 5C 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022C8B805420, 16 bytes long.
 Data: <X\ &#139;,           > 58 5C 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C8B804F70, 16 bytes long.
 Data: <0\ &#139;,           > 30 5C 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022C8B7F8E30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000022C8B8050B0, 16 bytes long.
 Data: <&#200;  &#139;,           > C8 8D 7F 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022C8B7FFE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000022C8B804FC0, 16 bytes long.
 Data: <&#160;  &#139;,           > A0 8D 7F 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022C8B804D90, 16 bytes long.
 Data: <x  &#139;,           > 78 8D 7F 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C8B805510, 16 bytes long.
 Data: <P  &#139;,           > 50 8D 7F 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022C8B805380, 16 bytes long.
 Data: <(  &#139;,           > 28 8D 7F 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022C8B805240, 16 bytes long.
 Data: <   &#139;,           > 00 8D 7F 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022C8B804C50, 16 bytes long.
 Data: <&#216;&#140; &#139;,           > D8 8C 7F 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022C8B7FF2C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000022C8B8047F0, 16 bytes long.
 Data: <&#176;&#140; &#139;,           > B0 8C 7F 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022C8B7F8CB0, 320 bytes long.
 Data: <&#240;G &#139;,   &#192;&#242; &#139;,   > F0 47 80 8B 2C 02 00 00 C0 F2 7F 8B 2C 02 00 00 
{273} normal block at 0x0000022C8B8049D0, 16 bytes long.
 Data: < \ &#139;,           > 10 5C 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022C8B804BB0, 16 bytes long.
 Data: <&#232;[ &#139;,           > E8 5B 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022C8B7FF440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000022C8B804B60, 16 bytes long.
 Data: <&#192;[ &#139;,           > C0 5B 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022C8B7FFA40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000022C8B8048E0, 16 bytes long.
 Data: < [ &#139;,           > 08 5B 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022C8B804890, 16 bytes long.
 Data: <&#224;Z &#139;,           > E0 5A 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022C8B804B10, 16 bytes long.
 Data: <&#184;Z &#139;,           > B8 5A 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022C8B804AC0, 16 bytes long.
 Data: < Z &#139;,           > 90 5A 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C8B805560, 16 bytes long.
 Data: <hZ &#139;,           > 68 5A 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022C8B804750, 16 bytes long.
 Data: <@Z &#139;,           > 40 5A 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022C8B805150, 16 bytes long.
 Data: <@&#210;~&#139;,           > 40 D2 7E 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022C8B7ED240, 40 bytes long.
 Data: <PQ &#139;,   &#240;_i ,   > 50 51 80 8B 2C 02 00 00 F0 5F 69 8D 2C 02 00 00 
{259} normal block at 0x0000022C8B805010, 16 bytes long.
 Data: < Z &#139;,           > 20 5A 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022C8B8054C0, 16 bytes long.
 Data: <&#248;Y &#139;,           > F8 59 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022C8B7FF7A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000022C8B804840, 16 bytes long.
 Data: <&#208;Y &#139;,           > D0 59 80 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022C8B8059D0, 992 bytes long.
 Data: <@H &#139;,   &#160;&#247; &#139;,   > 40 48 80 8B 2C 02 00 00 A0 F7 7F 8B 2C 02 00 00 
{91} normal block at 0x0000022C8B7FF9E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000022C8B7FEB10, 16 bytes long.
 Data: <`4 &#139;,           > 60 34 7F 8B 2C 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000022C8B7F3460, 40 bytes long.
 Data: < &#235; &#139;,   &#224;&#249; &#139;,   > 10 EB 7F 8B 2C 02 00 00 E0 F9 7F 8B 2C 02 00 00 
{68} normal block at 0x0000022C8B7FF1A0, 16 bytes long.
 Data: < &#234;&#174;&#188;&#246;           > 80 EA AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022C8B7FE700, 16 bytes long.
 Data: <@&#233;&#174;&#188;&#246;           > 40 E9 AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022C8B7FE980, 16 bytes long.
 Data: <&#248;W&#171;&#188;&#246;           > F8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022C8B7FE890, 16 bytes long.
 Data: <&#216;W&#171;&#188;&#246;           > D8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022C8B7FE840, 16 bytes long.
 Data: <P &#171;&#188;&#246;           > 50 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022C8B7FF150, 16 bytes long.
 Data: <0 &#171;&#188;&#246;           > 30 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022C8B7FED40, 16 bytes long.
 Data: <&#224; &#171;&#188;&#246;           > E0 02 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022C8B7FECA0, 16 bytes long.
 Data: <  &#171;&#188;&#246;           > 10 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022C8B7FE9D0, 16 bytes long.
 Data: <p &#171;&#188;&#246;           > 70 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022C8B7FEBB0, 16 bytes long.
 Data: < &#192;&#169;&#188;&#246;           > 18 C0 A9 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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