Task 38685762

Name test_624-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND0684_0
Workunit 31627220
Created 27 Oct 2026, 22:48:06 UTC
Sent 27 Oct 2026, 22:48:08 UTC
Report deadline 1 Nov 2026, 22:48:08 UTC
Received 27 Oct 2026, 23:59:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 35 min 52 sec
CPU time 34 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.31 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:15:20 (29032): wrapper (7.9.26016): starting
19:15:20 (29032): 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
19:15:21 (29032): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:15:21 (29032): 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\7\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\7\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
19:49:49 (29032): C:/Windows/system32/cmd.exe exited; CPU time 2042.765625
19:49:49 (29032): 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: 35497001 bytes.
Dumping objects ->
{3835185} normal block at 0x0000029DAEEC6CC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x0000029DAEEC6C50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000029DAEEC7190, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x0000029DAEEC70B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x0000029DAEEC6BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x0000029DB0BD8090, 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) : {3835097} normal block at 0x0000029DAEEC3340, 8 bytes long.
 Data: <  8&#175;    > 00 00 38 AF 9D 02 00 00 
{3833953} normal block at 0x0000029DAEEC2AD0, 8 bytes long.
 Data: <&#208;&#246;&#190;&#176;    > D0 F6 BE B0 9D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000029DAEEC0ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029DAEEB7600, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000029DAEEC76F0, 16 bytes long.
 Data: <h&#134;&#236;&#174;            > 68 86 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029DAEEC77E0, 16 bytes long.
 Data: <@&#134;&#236;&#174;            > 40 86 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029DAEEC1CA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000029DAEEC7DD0, 16 bytes long.
 Data: < &#134;&#236;&#174;            > 18 86 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029DAEEC7C90, 16 bytes long.
 Data: <&#240;&#133;&#236;&#174;            > F0 85 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029DAEEC76A0, 16 bytes long.
 Data: <&#200;&#133;&#236;&#174;            > C8 85 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029DAEEC80F0, 16 bytes long.
 Data: <&#160;&#133;&#236;&#174;            > A0 85 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029DAEEC7200, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000029DAEEC7C40, 16 bytes long.
 Data: <&#184;&#164;&#235;&#174;            > B8 A4 EB AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029DAEEC1F40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000029DAEEC7600, 16 bytes long.
 Data: < &#164;&#235;&#174;            > 90 A4 EB AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029DAEEC8280, 16 bytes long.
 Data: <h&#164;&#235;&#174;            > 68 A4 EB AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029DAEEC7E20, 16 bytes long.
 Data: <@&#164;&#235;&#174;            > 40 A4 EB AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029DAEEC75B0, 16 bytes long.
 Data: < &#164;&#235;&#174;            > 18 A4 EB AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029DAEEC7BF0, 16 bytes long.
 Data: <&#240;&#163;&#235;&#174;            > F0 A3 EB AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029DAEEC7650, 16 bytes long.
 Data: <&#200;&#163;&#235;&#174;            > C8 A3 EB AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029DAEEC22A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000029DAEEC7560, 16 bytes long.
 Data: <&#160;&#163;&#235;&#174;            > A0 A3 EB AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029DAEEBA3A0, 320 bytes long.
 Data: <`u&#236;&#174;    &#160;"&#236;&#174;    > 60 75 EC AE 9D 02 00 00 A0 22 EC AE 9D 02 00 00 
{272} normal block at 0x0000029DAEEC7D80, 16 bytes long.
 Data: < &#133;&#236;&#174;            > 80 85 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029DAEEC7CE0, 16 bytes long.
 Data: <X&#133;&#236;&#174;            > 58 85 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029DAEEC19A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000029DAEEC74C0, 16 bytes long.
 Data: <0&#133;&#236;&#174;            > 30 85 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029DAEEC16A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000029DAEEC7D30, 16 bytes long.
 Data: <x&#132;&#236;&#174;            > 78 84 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029DAEEC7BA0, 16 bytes long.
 Data: <P&#132;&#236;&#174;            > 50 84 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029DAEEC7A10, 16 bytes long.
 Data: <(&#132;&#236;&#174;            > 28 84 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029DAEEC7470, 16 bytes long.
 Data: < &#132;&#236;&#174;            > 00 84 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029DAEEC7EC0, 16 bytes long.
 Data: <&#216;&#131;&#236;&#174;            > D8 83 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029DAEEC82D0, 16 bytes long.
 Data: <&#176;&#131;&#236;&#174;            > B0 83 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029DAEEC7FB0, 16 bytes long.
 Data: < q&#236;&#174;            > 20 71 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029DAEEC7120, 40 bytes long.
 Data: <&#176; &#236;&#174;      &#189;&#176;    > B0 7F EC AE 9D 02 00 00 90 80 BD B0 9D 02 00 00 
{258} normal block at 0x0000029DAEEC73D0, 16 bytes long.
 Data: < &#131;&#236;&#174;            > 90 83 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029DAEEC8050, 16 bytes long.
 Data: <h&#131;&#236;&#174;            > 68 83 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000029DAEEC1BE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000029DAEEC7380, 16 bytes long.
 Data: <@&#131;&#236;&#174;            > 40 83 EC AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000029DAEEC8340, 992 bytes long.
 Data: < s&#236;&#174;    &#224; &#236;&#174;    > 80 73 EC AE 9D 02 00 00 E0 1B EC AE 9D 02 00 00 
{90} normal block at 0x0000029DAEEC1580, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000029DAEEC3700, 16 bytes long.
 Data: <&#224;&#175;&#234;&#174;            > E0 AF EA AE 9D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000029DAEEAAFE0, 40 bytes long.
 Data: < 7&#236;&#174;      &#236;&#174;    > 00 37 EC AE 9D 02 00 00 80 15 EC AE 9D 02 00 00 
{67} normal block at 0x0000029DAEEC27B0, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029DAEEC2940, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029DAEEC3430, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029DAEEC2E40, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029DAEEC3610, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029DAEEC3570, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029DAEEC3480, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029DAEEC2A80, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029DAEEC28A0, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000029DAEEC2C10, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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