Task 38682622

Name test_427-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND3387_0
Workunit 31624225
Created 27 Oct 2026, 8:25:50 UTC
Sent 27 Oct 2026, 8:25:54 UTC
Report deadline 1 Nov 2026, 8:25:54 UTC
Received 27 Oct 2026, 11:55:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627984
Run time 36 min 48 sec
CPU time 36 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,104.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.32 MB
Peak swap size 14.34 GB
Peak disk usage 4.16 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:15:11 (19156): wrapper (7.9.26016): starting
13:15:11 (19156): 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
13:15:13 (19156): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:15:13 (19156): 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\21\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\21\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
13:54:38 (19156): C:/Windows/system32/cmd.exe exited; CPU time 2208.593750
13:54:38 (19156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 52549111 bytes.
Dumping objects ->
{3835235} normal block at 0x000001B8FF811E50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001B8FF811B40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001B8FF8118A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000001B8FF811A60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001B8FF811830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000001B8FF8BC2C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001B8FF8BB1F0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835145} normal block at 0x000001B8FEF7FC90, 8 bytes long.
 Data: <  &#235;&#254;&#184;   > 00 00 EB FE B8 01 00 00 
{3834543} normal block at 0x000001B8FF8BA890, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001B8FEF7FB00, 8 bytes long.
 Data: < &#142;&#145;&#255;&#184;   > 00 8E 91 FF B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001B8FEF7FFF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B8FEF7BBC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001B8FEF76910, 16 bytes long.
 Data: <(&&#248;&#254;&#184;           > 28 26 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B8FEF76780, 16 bytes long.
 Data: < &&#248;&#254;&#184;           > 00 26 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B8FEF7BDD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001B8FEF76730, 16 bytes long.
 Data: <&#216;%&#248;&#254;&#184;           > D8 25 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B8FEF762D0, 16 bytes long.
 Data: <&#176;%&#248;&#254;&#184;           > B0 25 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B8FEF766E0, 16 bytes long.
 Data: < %&#248;&#254;&#184;           > 88 25 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B8FEF76190, 16 bytes long.
 Data: <`%&#248;&#254;&#184;           > 60 25 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B8FEF7AF40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001B8FEF76370, 16 bytes long.
 Data: <X&#187;&#247;&#254;&#184;           > 58 BB F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B8FEF7CAF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001B8FEF76140, 16 bytes long.
 Data: <0&#187;&#247;&#254;&#184;           > 30 BB F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B8FEF760F0, 16 bytes long.
 Data: < &#187;&#247;&#254;&#184;           > 08 BB F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B8FEF760A0, 16 bytes long.
 Data: <&#224;&#186;&#247;&#254;&#184;           > E0 BA F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B8FEF75F60, 16 bytes long.
 Data: <&#184;&#186;&#247;&#254;&#184;           > B8 BA F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B8FEF7F970, 16 bytes long.
 Data: <&#144;&#186;&#247;&#254;&#184;           > 90 BA F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B8FEF7F920, 16 bytes long.
 Data: <h&#186;&#247;&#254;&#184;           > 68 BA F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B8FEF7C5B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000001B8FEF7F8D0, 16 bytes long.
 Data: <@&#186;&#247;&#254;&#184;           > 40 BA F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B8FEF7BA40, 320 bytes long.
 Data: <&#208;&#248;&#247;&#254;&#184;   &#176;&#197;&#247;&#254;&#184;   > D0 F8 F7 FE B8 01 00 00 B0 C5 F7 FE B8 01 00 00 
{267} normal block at 0x000001B8FEF7F790, 16 bytes long.
 Data: <@%&#248;&#254;&#184;           > 40 25 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B8FEF7F880, 16 bytes long.
 Data: < %&#248;&#254;&#184;           > 18 25 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B8FEF7CB50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001B8FEF7FCE0, 16 bytes long.
 Data: <&#240;$&#248;&#254;&#184;           > F0 24 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B8FEF7BFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001B8FEF7F6F0, 16 bytes long.
 Data: <8$&#248;&#254;&#184;           > 38 24 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B8FEF7FA60, 16 bytes long.
 Data: < $&#248;&#254;&#184;           > 10 24 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B8FEF7FA10, 16 bytes long.
 Data: <&#232;#&#248;&#254;&#184;           > E8 23 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B8FEF7F9C0, 16 bytes long.
 Data: <&#192;#&#248;&#254;&#184;           > C0 23 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B8FEF7FE20, 16 bytes long.
 Data: < #&#248;&#254;&#184;           > 98 23 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B8FEF7F740, 16 bytes long.
 Data: <p#&#248;&#254;&#184;           > 70 23 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B8FEF7FC40, 16 bytes long.
 Data: <&#176;&#175;&#247;&#254;&#184;           > B0 AF F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B8FEF7AFB0, 40 bytes long.
 Data: <@&#252;&#247;&#254;&#184;   &#192;&#194;&#139;&#255;&#184;   > 40 FC F7 FE B8 01 00 00 C0 C2 8B FF B8 01 00 00 
{253} normal block at 0x000001B8FEF7F830, 16 bytes long.
 Data: <P#&#248;&#254;&#184;           > 50 23 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B8FEF7FAB0, 16 bytes long.
 Data: <(#&#248;&#254;&#184;           > 28 23 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001B8FEF7C9D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001B8FEF7FBA0, 16 bytes long.
 Data: < #&#248;&#254;&#184;           > 00 23 F8 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001B8FEF82300, 992 bytes long.
 Data: <&#160;&#251;&#247;&#254;&#184;   &#208;&#201;&#247;&#254;&#184;   > A0 FB F7 FE B8 01 00 00 D0 C9 F7 FE B8 01 00 00 
{85} normal block at 0x000001B8FEF7C3D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001B8FEF75C90, 16 bytes long.
 Data: <&#208;&#174;&#247;&#254;&#184;           > D0 AE F7 FE B8 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001B8FEF7AED0, 40 bytes long.
 Data: <&#144;\&#247;&#254;&#184;   &#208;&#195;&#247;&#254;&#184;   > 90 5C F7 FE B8 01 00 00 D0 C3 F7 FE B8 01 00 00 
{62} normal block at 0x000001B8FEF75EC0, 16 bytes long.
 Data: <&#128;&#234;&#210;~&#246;           > 80 EA D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B8FEF75D80, 16 bytes long.
 Data: <@&#233;&#210;~&#246;           > 40 E9 D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B8FEF75E70, 16 bytes long.
 Data: <&#248;W&#207;~&#246;           > F8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B8FEF765A0, 16 bytes long.
 Data: <&#216;W&#207;~&#246;           > D8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B8FEF76640, 16 bytes long.
 Data: <P &#207;~&#246;           > 50 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B8FEF76280, 16 bytes long.
 Data: <0 &#207;~&#246;           > 30 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B8FEF764B0, 16 bytes long.
 Data: <&#224; &#207;~&#246;           > E0 02 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B8FEF76230, 16 bytes long.
 Data: <  &#207;~&#246;           > 10 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001B8FEF765F0, 16 bytes long.
 Data: <p &#207;~&#246;           > 70 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001B8FEF76410, 16 bytes long.
 Data: < &#192;&#205;~&#246;           > 18 C0 CD 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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