Task 38683504

Name test_314-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0723_0
Workunit 31625059
Created 27 Oct 2026, 12:03:26 UTC
Sent 27 Oct 2026, 12:03:33 UTC
Report deadline 1 Nov 2026, 12:03:33 UTC
Received 27 Oct 2026, 12:27:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592657
Run time 23 min 14 sec
CPU time 21 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.14 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:04:58 (35048): wrapper (7.9.26016): starting
08:04:58 (35048): 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
08:04:59 (35048): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:04:59 (35048): 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
08:27:00 (35048): C:/Windows/system32/cmd.exe exited; CPU time 1293.843750
08:27:00 (35048): 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: 35129353 bytes.
Dumping objects ->
{3835253} normal block at 0x0000014B6AAC56C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000014B6AAC5C70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000014B6AAC4EE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000014B6AAC55E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000014B6AAC5260, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000014B6AA1D300, 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) : {3835165} normal block at 0x0000014B68C9D5C0, 8 bytes long.
 Data: <   iK   > 00 00 14 69 4B 01 00 00 
{3833995} normal block at 0x0000014B68C9D6B0, 8 bytes long.
 Data: <@&#166;&#171;jK   > 40 A6 AB 6A 4B 01 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x0000014B68C97940, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000014B68C98ED0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{313} normal block at 0x0000014B68CA5650, 16 bytes long.
 Data: <hf&#202;hK           > 68 66 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000014B68CA5880, 16 bytes long.
 Data: <@f&#202;hK           > 40 66 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000014B68C9F270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{310} normal block at 0x0000014B68CA5830, 16 bytes long.
 Data: < f&#202;hK           > 18 66 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000014B68CA5C40, 16 bytes long.
 Data: <&#240;e&#202;hK           > F0 65 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000014B68CA5600, 16 bytes long.
 Data: <&#200;e&#202;hK           > C8 65 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000014B68CA6190, 16 bytes long.
 Data: <&#160;e&#202;hK           > A0 65 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000014B68C9FE70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{305} normal block at 0x0000014B68CA5E70, 16 bytes long.
 Data: < &#217;&#200;hK           > 98 D9 C8 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000014B68C9EC70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{303} normal block at 0x0000014B68CA5740, 16 bytes long.
 Data: <p&#217;&#200;hK           > 70 D9 C8 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000014B68CA6050, 16 bytes long.
 Data: <H&#217;&#200;hK           > 48 D9 C8 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000014B68CA6230, 16 bytes long.
 Data: < &#217;&#200;hK           > 20 D9 C8 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000014B68CA5F60, 16 bytes long.
 Data: <&#248;&#216;&#200;hK           > F8 D8 C8 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014B68CA5E20, 16 bytes long.
 Data: <&#208;&#216;&#200;hK           > D0 D8 C8 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014B68CA57E0, 16 bytes long.
 Data: <&#168;&#216;&#200;hK           > A8 D8 C8 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000014B68C9EC10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{295} normal block at 0x0000014B68CA5B50, 16 bytes long.
 Data: < &#216;&#200;hK           > 80 D8 C8 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014B68C8D880, 320 bytes long.
 Data: <P[&#202;hK    &#236;&#201;hK   > 50 5B CA 68 4B 01 00 00 10 EC C9 68 4B 01 00 00 
{293} normal block at 0x0000014B68CA61E0, 16 bytes long.
 Data: < e&#202;hK           > 80 65 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014B68CA5D80, 16 bytes long.
 Data: <Xe&#202;hK           > 58 65 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014B68C9EAF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{290} normal block at 0x0000014B68CA5510, 16 bytes long.
 Data: <0e&#202;hK           > 30 65 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014B68C9EB50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{288} normal block at 0x0000014B68CA60F0, 16 bytes long.
 Data: <xd&#202;hK           > 78 64 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014B68CA60A0, 16 bytes long.
 Data: <Pd&#202;hK           > 50 64 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014B68CA5BF0, 16 bytes long.
 Data: <(d&#202;hK           > 28 64 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014B68CA62D0, 16 bytes long.
 Data: < d&#202;hK           > 00 64 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014B68CA5470, 16 bytes long.
 Data: <&#216;c&#202;hK           > D8 63 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014B68CA5420, 16 bytes long.
 Data: <&#176;c&#202;hK           > B0 63 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014B68CA5560, 16 bytes long.
 Data: < &#253;&#201;hK           > 20 FD C9 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014B68C9FD20, 40 bytes long.
 Data: <`U&#202;hK    &#211;&#161;jK   > 60 55 CA 68 4B 01 00 00 00 D3 A1 6A 4B 01 00 00 
{279} normal block at 0x0000014B68CA6140, 16 bytes long.
 Data: < c&#202;hK           > 90 63 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014B68CA5F10, 16 bytes long.
 Data: <hc&#202;hK           > 68 63 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014B68C9EA90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{276} normal block at 0x0000014B68CA5790, 16 bytes long.
 Data: <@c&#202;hK           > 40 63 CA 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014B68CA6340, 992 bytes long.
 Data: < W&#202;hK    &#234;&#201;hK   > 90 57 CA 68 4B 01 00 00 90 EA C9 68 4B 01 00 00 
{111} normal block at 0x0000014B68C9F690, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{110} normal block at 0x0000014B68C9CEE0, 16 bytes long.
 Data: <&#160;&#249;&#201;hK           > A0 F9 C9 68 4B 01 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x0000014B68C9F9A0, 40 bytes long.
 Data: <&#224;&#206;&#201;hK    &#246;&#201;hK   > E0 CE C9 68 4B 01 00 00 90 F6 C9 68 4B 01 00 00 
{88} normal block at 0x0000014B68C9D200, 16 bytes long.
 Data: < &#234; .&#246;           > 80 EA 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000014B68C9D070, 16 bytes long.
 Data: <@&#233; .&#246;           > 40 E9 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000014B68C9D110, 16 bytes long.
 Data: <&#248;W .&#246;           > F8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000014B68C9CE40, 16 bytes long.
 Data: <&#216;W .&#246;           > D8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000014B68C9D570, 16 bytes long.
 Data: <P  .&#246;           > 50 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000014B68C9CA80, 16 bytes long.
 Data: <0  .&#246;           > 30 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000014B68C9D390, 16 bytes long.
 Data: <&#224;  .&#246;           > E0 02 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000014B68C9CC10, 16 bytes long.
 Data: <   .&#246;           > 10 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000014B68C9CDF0, 16 bytes long.
 Data: <p  .&#246;           > 70 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000014B68C9D2A0, 16 bytes long.
 Data: < &#192; .&#246;           > 18 C0 00 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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