Task 38691805

Name test_312-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6398_1
Workunit 31632734
Created 29 Oct 2026, 16:44:29 UTC
Sent 29 Oct 2026, 16:44:38 UTC
Report deadline 3 Nov 2026, 16:44:38 UTC
Received 29 Oct 2026, 17:55:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 58 min
CPU time 54 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.97 MB
Peak swap size 2.03 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:58:42 (15428): wrapper (7.9.26016): starting
18:58:42 (15428): 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
18:58:44 (15428): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:58:44 (15428): 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 'E:\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 'E:\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
19:54:28 (15428): C:/Windows/system32/cmd.exe exited; CPU time 3296.687500
19:54:28 (15428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 42998356 bytes.
Dumping objects ->
{3835460} normal block at 0x00000199D6AF78E0, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x00000199D8D64510, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x00000199D8D654D0, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x00000199D8D64CF0, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x00000199D8D65470, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x00000199D6AF7800, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x00000199D8C50ED0, 85 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) : {3835371} normal block at 0x00000199D6AC7150, 8 bytes long.
 Data: <  &#170;&#214;    > 00 00 AA D6 99 01 00 00 
{3834651} normal block at 0x00000199D8C50B10, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000199D6AC6DE0, 8 bytes long.
 Data: < x&#219;&#216;    > 00 78 DB D8 99 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000199D6AD39A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000199D6AB8CD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000199D6AD2380, 16 bytes long.
 Data: < 1&#173;&#214;            > 08 31 AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000199D6AD24C0, 16 bytes long.
 Data: <&#224;0&#173;&#214;            > E0 30 AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000199D6ACBBA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000199D6AD2880, 16 bytes long.
 Data: <&#184;0&#173;&#214;            > B8 30 AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000199D6AD1F70, 16 bytes long.
 Data: < 0&#173;&#214;            > 90 30 AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000199D6AD2240, 16 bytes long.
 Data: <h0&#173;&#214;            > 68 30 AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000199D6AD1CA0, 16 bytes long.
 Data: <@0&#173;&#214;            > 40 30 AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000199D6ACDB30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000199D6AD2150, 16 bytes long.
 Data: <H&#192;&#171;&#214;            > 48 C0 AB D6 99 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000199D6ACBEA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000199D6AD2560, 16 bytes long.
 Data: < &#192;&#171;&#214;            > 20 C0 AB D6 99 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000199D6AD1D40, 16 bytes long.
 Data: <&#248;&#191;&#171;&#214;            > F8 BF AB D6 99 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000199D6AD2330, 16 bytes long.
 Data: <&#208;&#191;&#171;&#214;            > D0 BF AB D6 99 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000199D6AD1BB0, 16 bytes long.
 Data: <&#168;&#191;&#171;&#214;            > A8 BF AB D6 99 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000199D6AD1E30, 16 bytes long.
 Data: < &#191;&#171;&#214;            > 80 BF AB D6 99 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000199D6AD21F0, 16 bytes long.
 Data: <X&#191;&#171;&#214;            > 58 BF AB D6 99 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000199D6ACC7A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000199D6AD1DE0, 16 bytes long.
 Data: <0&#191;&#171;&#214;            > 30 BF AB D6 99 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000199D6ABBF30, 320 bytes long.
 Data: <&#224; &#173;&#214;    &#160;&#199;&#172;&#214;    > E0 1D AD D6 99 01 00 00 A0 C7 AC D6 99 01 00 00 
{270} normal block at 0x00000199D6AD2830, 16 bytes long.
 Data: < 0&#173;&#214;            > 20 30 AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000199D6AD2650, 16 bytes long.
 Data: <&#248;/&#173;&#214;            > F8 2F AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000199D6ACC4A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000199D6AD1AC0, 16 bytes long.
 Data: <&#208;/&#173;&#214;            > D0 2F AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000199D6ACB8A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000199D6AD1A20, 16 bytes long.
 Data: < /&#173;&#214;            > 18 2F AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000199D6AD2470, 16 bytes long.
 Data: <&#240;.&#173;&#214;            > F0 2E AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000199D6AD1B60, 16 bytes long.
 Data: <&#200;.&#173;&#214;            > C8 2E AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000199D6AD2790, 16 bytes long.
 Data: <&#160;.&#173;&#214;            > A0 2E AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000199D6AD1ED0, 16 bytes long.
 Data: <x.&#173;&#214;            > 78 2E AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000199D6AD27E0, 16 bytes long.
 Data: <P.&#173;&#214;            > 50 2E AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000199D6AD2600, 16 bytes long.
 Data: <p&#217;&#172;&#214;            > 70 D9 AC D6 99 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000199D6ACD970, 40 bytes long.
 Data: < &&#173;&#214;     x&#175;&#214;    > 00 26 AD D6 99 01 00 00 00 78 AF D6 99 01 00 00 
{256} normal block at 0x00000199D6AD21A0, 16 bytes long.
 Data: <0.&#173;&#214;            > 30 2E AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000199D6AD2920, 16 bytes long.
 Data: < .&#173;&#214;            > 08 2E AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000199D6ACC5C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000199D6AD1C50, 16 bytes long.
 Data: <&#224;-&#173;&#214;            > E0 2D AD D6 99 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000199D6AD2DE0, 992 bytes long.
 Data: <P &#173;&#214;    &#192;&#197;&#172;&#214;    > 50 1C AD D6 99 01 00 00 C0 C5 AC D6 99 01 00 00 
{88} normal block at 0x00000199D6ACC680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000199D6AC6D90, 16 bytes long.
 Data: < &#216;&#172;&#214;            > 90 D8 AC D6 99 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000199D6ACD890, 40 bytes long.
 Data: < m&#172;&#214;     &#198;&#172;&#214;    > 90 6D AC D6 99 01 00 00 80 C6 AC D6 99 01 00 00 
{65} normal block at 0x00000199D6AC6F70, 16 bytes long.
 Data: < &#234; &#214;&#247;           > 80 EA 13 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000199D6AC7740, 16 bytes long.
 Data: <@&#233; &#214;&#247;           > 40 E9 13 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000199D6AC76F0, 16 bytes long.
 Data: <&#248;W &#214;&#247;           > F8 57 10 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000199D6AC7060, 16 bytes long.
 Data: <&#216;W &#214;&#247;           > D8 57 10 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000199D6AC6F20, 16 bytes long.
 Data: <P  &#214;&#247;           > 50 04 10 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000199D6AC73D0, 16 bytes long.
 Data: <0  &#214;&#247;           > 30 04 10 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000199D6AC6C50, 16 bytes long.
 Data: <&#224;  &#214;&#247;           > E0 02 10 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000199D6AC70B0, 16 bytes long.
 Data: <   &#214;&#247;           > 10 04 10 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000199D6AC6D40, 16 bytes long.
 Data: <p  &#214;&#247;           > 70 04 10 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000199D6AC72E0, 16 bytes long.
 Data: < &#192; &#214;&#247;           > 18 C0 0E D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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