Task 38683351

Name test_274-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND4459_0
Workunit 31624914
Created 27 Oct 2026, 11:28:43 UTC
Sent 27 Oct 2026, 11:28:52 UTC
Report deadline 1 Nov 2026, 11:28:52 UTC
Received 27 Oct 2026, 11:47:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609285
Run time 17 min 32 sec
CPU time 15 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 111,632.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.11 MB
Peak swap size 13.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:30:03 (10092): wrapper (7.9.26016): starting
04:30:03 (10092): 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
04:30:04 (10092): Library/usr/bin/tar.exe exited; CPU time 0.031250
04:30:04 (10092): 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\28\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\28\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
04:46:41 (10092): C:/Windows/system32/cmd.exe exited; CPU time 937.046875
04:46:41 (10092): 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: 21767035 bytes.
Dumping objects ->
{3835205} normal block at 0x0000020A39D04B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x0000020A39D05100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000020A39D04F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x0000020A39D04BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x0000020A39D051E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x0000020A3BB09E60, 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) : {3835117} normal block at 0x0000020A39CFE220, 8 bytes long.
 Data: <  &#201;9    > 00 00 C9 39 0A 02 00 00 
{3833967} normal block at 0x0000020A39CFD820, 8 bytes long.
 Data: <&#160;X&#185;;    > A0 58 B9 3B 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000020A39D01ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020A39CF6BD0, 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 0x0000020A39D05940, 16 bytes long.
 Data: <Hj&#208;9            > 48 6A D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020A39D05EE0, 16 bytes long.
 Data: < j&#208;9            > 20 6A D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020A39CFF420, 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 0x0000020A39D05E90, 16 bytes long.
 Data: <&#248;i&#208;9            > F8 69 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020A39D05800, 16 bytes long.
 Data: <&#208;i&#208;9            > D0 69 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020A39D06390, 16 bytes long.
 Data: <&#168;i&#208;9            > A8 69 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020A39D058F0, 16 bytes long.
 Data: < i&#208;9            > 80 69 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020A39D05250, 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 0x0000020A39D06250, 16 bytes long.
 Data: <x&#240;&#206;9            > 78 F0 CE 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020A39CFF0C0, 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 0x0000020A39D05DF0, 16 bytes long.
 Data: <P&#240;&#206;9            > 50 F0 CE 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020A39D057B0, 16 bytes long.
 Data: <(&#240;&#206;9            > 28 F0 CE 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020A39D05BC0, 16 bytes long.
 Data: < &#240;&#206;9            > 00 F0 CE 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020A39D058A0, 16 bytes long.
 Data: <&#216;&#239;&#206;9            > D8 EF CE 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A39D05DA0, 16 bytes long.
 Data: <&#176;&#239;&#206;9            > B0 EF CE 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020A39D06480, 16 bytes long.
 Data: < &#239;&#206;9            > 88 EF CE 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020A39CFF3C0, 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 0x0000020A39D05760, 16 bytes long.
 Data: <`&#239;&#206;9            > 60 EF CE 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020A39CEEF60, 320 bytes long.
 Data: <`W&#208;9    &#192;&#243;&#207;9    > 60 57 D0 39 0A 02 00 00 C0 F3 CF 39 0A 02 00 00 
{279} normal block at 0x0000020A39D06660, 16 bytes long.
 Data: <`i&#208;9            > 60 69 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020A39D066B0, 16 bytes long.
 Data: <8i&#208;9            > 38 69 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020A39CFFEA0, 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 0x0000020A39D05D50, 16 bytes long.
 Data: < i&#208;9            > 10 69 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020A39CFF780, 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 0x0000020A39D05FD0, 16 bytes long.
 Data: <Xh&#208;9            > 58 68 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020A39D05850, 16 bytes long.
 Data: <0h&#208;9            > 30 68 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020A39D061B0, 16 bytes long.
 Data: < h&#208;9            > 08 68 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020A39D06160, 16 bytes long.
 Data: <&#224;g&#208;9            > E0 67 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020A39D05D00, 16 bytes long.
 Data: <&#184;g&#208;9            > B8 67 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020A39D05E40, 16 bytes long.
 Data: < g&#208;9            > 90 67 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020A39D059E0, 16 bytes long.
 Data: <&#208;N&#208;9            > D0 4E D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020A39D04ED0, 40 bytes long.
 Data: <&#224;Y&#208;9    `&#158;&#176;;    > E0 59 D0 39 0A 02 00 00 60 9E B0 3B 0A 02 00 00 
{265} normal block at 0x0000020A39D06110, 16 bytes long.
 Data: <pg&#208;9            > 70 67 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020A39D05F80, 16 bytes long.
 Data: <Hg&#208;9            > 48 67 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020A39CFF4E0, 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 0x0000020A39D05CB0, 16 bytes long.
 Data: < g&#208;9            > 20 67 D0 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020A39D06720, 992 bytes long.
 Data: <&#176;\&#208;9    &#224;&#244;&#207;9    > B0 5C D0 39 0A 02 00 00 E0 F4 CF 39 0A 02 00 00 
{97} normal block at 0x0000020A39CFF8A0, 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 0x0000020A39CFD7D0, 16 bytes long.
 Data: <P&#213;&#206;9            > 50 D5 CE 39 0A 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000020A39CED550, 40 bytes long.
 Data: <&#208;&#215;&#207;9    &#160;&#248;&#207;9    > D0 D7 CF 39 0A 02 00 00 A0 F8 CF 39 0A 02 00 00 
{74} normal block at 0x0000020A39CFDCD0, 16 bytes long.
 Data: < &#234;.)&#246;           > 80 EA 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020A39CFD910, 16 bytes long.
 Data: <@&#233;.)&#246;           > 40 E9 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020A39CFD730, 16 bytes long.
 Data: <&#248;W+)&#246;           > F8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020A39CFD5F0, 16 bytes long.
 Data: <&#216;W+)&#246;           > D8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020A39CFD5A0, 16 bytes long.
 Data: <P +)&#246;           > 50 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020A39CFD9B0, 16 bytes long.
 Data: <0 +)&#246;           > 30 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020A39CFD960, 16 bytes long.
 Data: <&#224; +)&#246;           > E0 02 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020A39CFE040, 16 bytes long.
 Data: <  +)&#246;           > 10 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020A39CFD6E0, 16 bytes long.
 Data: <p +)&#246;           > 70 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020A39CFDAA0, 16 bytes long.
 Data: < &#192;))&#246;           > 18 C0 29 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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