Task 38677529

Name test_224-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND8802_0
Workunit 31619398
Created 26 Oct 2026, 14:36:16 UTC
Sent 26 Oct 2026, 14:36:21 UTC
Report deadline 31 Oct 2026, 14:36:21 UTC
Received 26 Oct 2026, 15:38:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 1 min 39 sec
CPU time 56 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 641.27 MB
Peak swap size 2.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:38:23 (17392): wrapper (7.9.26016): starting
16:38:23 (17392): 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
16:38:25 (17392): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:38:25 (17392): 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: Exiting with failure status due to previous errors
17:38:07 (17392): C:/Windows/system32/cmd.exe exited; CPU time 3414.718750
17:38:07 (17392): 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: 57379181 bytes.
Dumping objects ->
{3835257} normal block at 0x00000166CABC1330, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000166CABC0FB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x00000166CABC12C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x00000166CABC0B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x00000166CABC16B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x00000166CACB5130, 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) : {3835169} normal block at 0x00000166C9177570, 8 bytes long.
 Data: <  &#221;&#202;f   > 00 00 DD CA 66 01 00 00 
{3833951} normal block at 0x00000166C91776B0, 8 bytes long.
 Data: <p&#210;&#204;&#202;f   > 70 D2 CC CA 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000166C9181B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000166C9166740, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000166C9183640, 16 bytes long.
 Data: < A &#201;f           > 98 41 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000166C9182F10, 16 bytes long.
 Data: <pA &#201;f           > 70 41 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000166C917C1C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000166C91835A0, 16 bytes long.
 Data: <HA &#201;f           > 48 41 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000166C9183550, 16 bytes long.
 Data: < A &#201;f           > 20 41 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000166C9183730, 16 bytes long.
 Data: <&#248;@ &#201;f           > F8 40 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000166C9183190, 16 bytes long.
 Data: <&#208;@ &#201;f           > D0 40 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000166C917DA00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000166C9182EC0, 16 bytes long.
 Data: < &#210; &#201;f           > 98 D2 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000166C917C100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000166C9182E70, 16 bytes long.
 Data: <p&#210; &#201;f           > 70 D2 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000166C9182BF0, 16 bytes long.
 Data: <H&#210; &#201;f           > 48 D2 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000166C91836E0, 16 bytes long.
 Data: < &#210; &#201;f           > 20 D2 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000166C9182BA0, 16 bytes long.
 Data: <&#248;&#209; &#201;f           > F8 D1 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000166C9182D80, 16 bytes long.
 Data: <&#208;&#209; &#201;f           > D0 D1 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000166C91835F0, 16 bytes long.
 Data: <&#168;&#209; &#201;f           > A8 D1 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000166C917C580, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000166C9183500, 16 bytes long.
 Data: < &#209; &#201;f           > 80 D1 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000166C917D180, 320 bytes long.
 Data: < 5 &#201;f    &#197; &#201;f   > 00 35 18 C9 66 01 00 00 80 C5 17 C9 66 01 00 00 
{271} normal block at 0x00000166C9183460, 16 bytes long.
 Data: <&#176;@ &#201;f           > B0 40 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000166C9182E20, 16 bytes long.
 Data: < @ &#201;f           > 88 40 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000166C917C520, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000166C9182B50, 16 bytes long.
 Data: <`@ &#201;f           > 60 40 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000166C917B8C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000166C9183370, 16 bytes long.
 Data: <&#168;? &#201;f           > A8 3F 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000166C9182DD0, 16 bytes long.
 Data: < ? &#201;f           > 80 3F 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000166C9182B00, 16 bytes long.
 Data: <X? &#201;f           > 58 3F 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000166C9183780, 16 bytes long.
 Data: <0? &#201;f           > 30 3F 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000166C91834B0, 16 bytes long.
 Data: < ? &#201;f           > 08 3F 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000166C9182D30, 16 bytes long.
 Data: <&#224;> &#201;f           > E0 3E 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000166C91839B0, 16 bytes long.
 Data: <&#192;&#219; &#201;f           > C0 DB 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000166C917DBC0, 40 bytes long.
 Data: <&#176;9 &#201;f   0Q&#203;&#202;f   > B0 39 18 C9 66 01 00 00 30 51 CB CA 66 01 00 00 
{257} normal block at 0x00000166C9182F60, 16 bytes long.
 Data: <&#192;> &#201;f           > C0 3E 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000166C9183A00, 16 bytes long.
 Data: < > &#201;f           > 98 3E 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000166C917BB00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000166C9183320, 16 bytes long.
 Data: <p> &#201;f           > 70 3E 18 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000166C9183E70, 992 bytes long.
 Data: < 3 &#201;f    &#187; &#201;f   > 20 33 18 C9 66 01 00 00 00 BB 17 C9 66 01 00 00 
{89} normal block at 0x00000166C917BEC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000166C9177480, 16 bytes long.
 Data: <&#176;&#216; &#201;f           > B0 D8 17 C9 66 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000166C917D8B0, 40 bytes long.
 Data: < t &#201;f   &#192;&#190; &#201;f   > 80 74 17 C9 66 01 00 00 C0 BE 17 C9 66 01 00 00 
{66} normal block at 0x00000166C9176D00, 16 bytes long.
 Data: < &#234;&#189;^&#247;           > 80 EA BD 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000166C9176CB0, 16 bytes long.
 Data: <@&#233;&#189;^&#247;           > 40 E9 BD 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000166C9176DA0, 16 bytes long.
 Data: <&#248;W&#186;^&#247;           > F8 57 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000166C9177250, 16 bytes long.
 Data: <&#216;W&#186;^&#247;           > D8 57 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000166C9176FD0, 16 bytes long.
 Data: <P &#186;^&#247;           > 50 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000166C9177110, 16 bytes long.
 Data: <0 &#186;^&#247;           > 30 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000166C91772F0, 16 bytes long.
 Data: <&#224; &#186;^&#247;           > E0 02 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000166C9177340, 16 bytes long.
 Data: <  &#186;^&#247;           > 10 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000166C9177660, 16 bytes long.
 Data: <p &#186;^&#247;           > 70 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000166C9177390, 16 bytes long.
 Data: < &#192;&#184;^&#247;           > 18 C0 B8 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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