Task 38685226

Name test_104-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7488_0
Workunit 31626703
Created 27 Oct 2026, 20:04:02 UTC
Sent 27 Oct 2026, 20:04:06 UTC
Report deadline 1 Nov 2026, 20:04:06 UTC
Received 27 Oct 2026, 23:39:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623034
Run time 23 min 48 sec
CPU time 21 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.73 MB
Peak swap size 9.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:16:09 (35348): wrapper (7.9.26016): starting
18:16:09 (35348): 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
18:16:10 (35348): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:16:10 (35348): 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\24\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\24\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
18:39:13 (35348): C:/Windows/system32/cmd.exe exited; CPU time 1291.562500
18:39:13 (35348): 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: 29161431 bytes.
Dumping objects ->
{3835205} normal block at 0x00000205DE1AD0E0, 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 0x00000205DC5449C0, 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 0x00000205DC544950, 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 0x00000205DC544B80, 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 0x00000205DC5448E0, 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 0x00000205DE1F3A00, 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 0x00000205DC53F610, 8 bytes long.
 Data: <   &#220;    > 00 00 90 DC 05 02 00 00 
{3833969} normal block at 0x00000205DC53E850, 8 bytes long.
 Data: <&#160;X%&#222;    > A0 58 25 DE 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000205DC5409B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000205DC5355A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000205DC545C60, 16 bytes long.
 Data: < fT&#220;            > 88 66 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000205DC545BC0, 16 bytes long.
 Data: <`fT&#220;            > 60 66 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000205DC540100, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000205DC545B20, 16 bytes long.
 Data: <8fT&#220;            > 38 66 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000205DC545E90, 16 bytes long.
 Data: < fT&#220;            > 10 66 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000205DC545A80, 16 bytes long.
 Data: <&#232;eT&#220;            > E8 65 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000205DC545D50, 16 bytes long.
 Data: <&#192;eT&#220;            > C0 65 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000205DC544CD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000205DC545580, 16 bytes long.
 Data: <(&#244;R&#220;            > 28 F4 52 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000205DC53FC20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000205DC545490, 16 bytes long.
 Data: < &#244;R&#220;            > 00 F4 52 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000205DC545E40, 16 bytes long.
 Data: <&#216;&#243;R&#220;            > D8 F3 52 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000205DC545DF0, 16 bytes long.
 Data: <&#176;&#243;R&#220;            > B0 F3 52 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000205DC5457B0, 16 bytes long.
 Data: < &#243;R&#220;            > 88 F3 52 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000205DC545AD0, 16 bytes long.
 Data: <`&#243;R&#220;            > 60 F3 52 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000205DC546200, 16 bytes long.
 Data: <8&#243;R&#220;            > 38 F3 52 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000205DC5406A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000205DC545A30, 16 bytes long.
 Data: < &#243;R&#220;            > 10 F3 52 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000205DC52F310, 320 bytes long.
 Data: <0ZT&#220;    &#160; T&#220;    > 30 5A 54 DC 05 02 00 00 A0 06 54 DC 05 02 00 00 
{280} normal block at 0x00000205DC5459E0, 16 bytes long.
 Data: <&#160;eT&#220;            > A0 65 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000205DC546250, 16 bytes long.
 Data: <xeT&#220;            > 78 65 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000205DC53F9E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000205DC545B70, 16 bytes long.
 Data: <PeT&#220;            > 50 65 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000205DC540640, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000205DC545DA0, 16 bytes long.
 Data: < dT&#220;            > 98 64 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000205DC5458A0, 16 bytes long.
 Data: <pdT&#220;            > 70 64 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000205DC5461B0, 16 bytes long.
 Data: <HdT&#220;            > 48 64 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000205DC545710, 16 bytes long.
 Data: < dT&#220;            > 20 64 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000205DC545440, 16 bytes long.
 Data: <&#248;cT&#220;            > F8 63 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000205DC545C10, 16 bytes long.
 Data: <&#208;cT&#220;            > D0 63 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000205DC545850, 16 bytes long.
 Data: <@MT&#220;            > 40 4D 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000205DC544D40, 40 bytes long.
 Data: <PXT&#220;     : &#222;    > 50 58 54 DC 05 02 00 00 00 3A 1F DE 05 02 00 00 
{266} normal block at 0x00000205DC545990, 16 bytes long.
 Data: <&#176;cT&#220;            > B0 63 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000205DC545940, 16 bytes long.
 Data: < cT&#220;            > 88 63 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000205DC5402E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000205DC545800, 16 bytes long.
 Data: <`cT&#220;            > 60 63 54 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000205DC546360, 992 bytes long.
 Data: < XT&#220;    &#224; T&#220;    > 00 58 54 DC 05 02 00 00 E0 02 54 DC 05 02 00 00 
{98} normal block at 0x00000205DC53FBC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000205DC53EC10, 16 bytes long.
 Data: <0&#225;R&#220;            > 30 E1 52 DC 05 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000205DC52E130, 40 bytes long.
 Data: < &#236;S&#220;    &#192;&#251;S&#220;    > 10 EC 53 DC 05 02 00 00 C0 FB 53 DC 05 02 00 00 
{75} normal block at 0x00000205DC53E990, 16 bytes long.
 Data: < &#234;$#&#247;           > 80 EA 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000205DC53F340, 16 bytes long.
 Data: <@&#233;$#&#247;           > 40 E9 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000205DC53F2F0, 16 bytes long.
 Data: <&#248;W!#&#247;           > F8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000205DC53F2A0, 16 bytes long.
 Data: <&#216;W!#&#247;           > D8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000205DC53EBC0, 16 bytes long.
 Data: <P !#&#247;           > 50 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000205DC53EF80, 16 bytes long.
 Data: <0 !#&#247;           > 30 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000205DC53F660, 16 bytes long.
 Data: <&#224; !#&#247;           > E0 02 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000205DC53F700, 16 bytes long.
 Data: <  !#&#247;           > 10 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000205DC53EEE0, 16 bytes long.
 Data: <p !#&#247;           > 70 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000205DC53EE40, 16 bytes long.
 Data: < &#192; #&#247;           > 18 C0 1F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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