Task 38679795

Name test_991-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3066_0
Workunit 31621556
Created 26 Oct 2026, 21:47:34 UTC
Sent 26 Oct 2026, 21:47:36 UTC
Report deadline 31 Oct 2026, 21:47:36 UTC
Received 27 Oct 2026, 7:14:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627058
Run time 34 min 1 sec
CPU time 31 min 42 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 762.00 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>
07:38:18 (28016): wrapper (7.9.26016): starting
07:38:18 (28016): 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
07:38:21 (28016): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:38:21 (28016): 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\65\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\65\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
08:13:34 (28016): C:/Windows/system32/cmd.exe exited; CPU time 1902.578125
08:13:34 (28016): 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: 44241853 bytes.
Dumping objects ->
{3835524} normal block at 0x0000027FEDA4E340, 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 0x0000027FEDA4DD20, 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 0x0000027FEBCA51B0, 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 0x0000027FEBCA5290, 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 0x0000027FEBCA5300, 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 0x0000027FEDA979B0, 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 0x0000027FEBC9E580, 8 bytes long.
 Data: <   &#236;    > 00 00 1A EC 7F 02 00 00 
{3833967} normal block at 0x0000027FEBC9E490, 8 bytes long.
 Data: <0Q&#175;&#237;    > 30 51 AF ED 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000027FEBCA1CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027FEBC97110, 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 0x0000027FEBCA5F80, 16 bytes long.
 Data: <&#184;n&#202;&#235;            > B8 6E CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027FEBCA6250, 16 bytes long.
 Data: < n&#202;&#235;            > 90 6E CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027FEBC9FC70, 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 0x0000027FEBCA5F30, 16 bytes long.
 Data: <hn&#202;&#235;            > 68 6E CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027FEBCA5DF0, 16 bytes long.
 Data: <@n&#202;&#235;            > 40 6E CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027FEBCA5C60, 16 bytes long.
 Data: < n&#202;&#235;            > 18 6E CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027FEBCA5B20, 16 bytes long.
 Data: <&#240;m&#202;&#235;            > F0 6D CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027FEBCA53E0, 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 0x0000027FEBCA62F0, 16 bytes long.
 Data: < &#185;&#200;&#235;            > 88 B9 C8 EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027FEBC9F550, 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 0x0000027FEBCA5990, 16 bytes long.
 Data: <`&#185;&#200;&#235;            > 60 B9 C8 EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027FEBCA5B70, 16 bytes long.
 Data: <8&#185;&#200;&#235;            > 38 B9 C8 EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027FEBCA66B0, 16 bytes long.
 Data: < &#185;&#200;&#235;            > 10 B9 C8 EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027FEBCA5E90, 16 bytes long.
 Data: <&#232;&#184;&#200;&#235;            > E8 B8 C8 EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027FEBCA6340, 16 bytes long.
 Data: <&#192;&#184;&#200;&#235;            > C0 B8 C8 EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027FEBCA5BC0, 16 bytes long.
 Data: < &#184;&#200;&#235;            > 98 B8 C8 EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027FEBC9FBB0, 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 0x0000027FEBCA6840, 16 bytes long.
 Data: <p&#184;&#200;&#235;            > 70 B8 C8 EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027FEBC8B870, 320 bytes long.
 Data: <@h&#202;&#235;    &#176;&#251;&#201;&#235;    > 40 68 CA EB 7F 02 00 00 B0 FB C9 EB 7F 02 00 00 
{279} normal block at 0x0000027FEBCA6200, 16 bytes long.
 Data: <&#208;m&#202;&#235;            > D0 6D CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027FEBCA5AD0, 16 bytes long.
 Data: <&#168;m&#202;&#235;            > A8 6D CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027FEBC9FA90, 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 0x0000027FEBCA63E0, 16 bytes long.
 Data: < m&#202;&#235;            > 80 6D CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027FEBCA0150, 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 0x0000027FEBCA5C10, 16 bytes long.
 Data: <&#200;l&#202;&#235;            > C8 6C CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027FEBCA61B0, 16 bytes long.
 Data: <&#160;l&#202;&#235;            > A0 6C CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027FEBCA65C0, 16 bytes long.
 Data: <xl&#202;&#235;            > 78 6C CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027FEBCA5CB0, 16 bytes long.
 Data: <Pl&#202;&#235;            > 50 6C CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027FEBCA58F0, 16 bytes long.
 Data: <(l&#202;&#235;            > 28 6C CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027FEBCA5FD0, 16 bytes long.
 Data: < l&#202;&#235;            > 00 6C CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027FEBCA6110, 16 bytes long.
 Data: <&#160;N&#202;&#235;            > A0 4E CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027FEBCA4EA0, 40 bytes long.
 Data: < a&#202;&#235;    &#176;y&#169;&#237;    > 10 61 CA EB 7F 02 00 00 B0 79 A9 ED 7F 02 00 00 
{265} normal block at 0x0000027FEBCA6570, 16 bytes long.
 Data: <&#224;k&#202;&#235;            > E0 6B CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027FEBCA5A80, 16 bytes long.
 Data: <&#184;k&#202;&#235;            > B8 6B CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027FEBC9F7F0, 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 0x0000027FEBCA6390, 16 bytes long.
 Data: < k&#202;&#235;            > 90 6B CA EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027FEBCA6B90, 992 bytes long.
 Data: < c&#202;&#235;    &#240;&#247;&#201;&#235;    > 90 63 CA EB 7F 02 00 00 F0 F7 C9 EB 7F 02 00 00 
{97} normal block at 0x0000027FEBC9FA30, 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 0x0000027FEBC9D720, 16 bytes long.
 Data: <&#240;&#202;&#200;&#235;            > F0 CA C8 EB 7F 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000027FEBC8CAF0, 40 bytes long.
 Data: < &#215;&#201;&#235;    0&#250;&#201;&#235;    > 20 D7 C9 EB 7F 02 00 00 30 FA C9 EB 7F 02 00 00 
{74} normal block at 0x0000027FEBC9DEA0, 16 bytes long.
 Data: < &#234;&#236; &#246;           > 80 EA EC 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000027FEBC9E1C0, 16 bytes long.
 Data: <@&#233;&#236; &#246;           > 40 E9 EC 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027FEBC9DD10, 16 bytes long.
 Data: <&#248;W&#233; &#246;           > F8 57 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027FEBC9E080, 16 bytes long.
 Data: <&#216;W&#233; &#246;           > D8 57 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027FEBC9DCC0, 16 bytes long.
 Data: <P &#233; &#246;           > 50 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027FEBC9E350, 16 bytes long.
 Data: <0 &#233; &#246;           > 30 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027FEBC9E4E0, 16 bytes long.
 Data: <&#224; &#233; &#246;           > E0 02 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027FEBC9D770, 16 bytes long.
 Data: <  &#233; &#246;           > 10 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027FEBC9E440, 16 bytes long.
 Data: <p &#233; &#246;           > 70 04 E9 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027FEBC9DBD0, 16 bytes long.
 Data: < &#192;&#231; &#246;           > 18 C0 E7 16 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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